OSADHI - Online Structural and Analytics based Database for Herbs of India

  • Home
  • About
  • Features
  • Search
    • Name
    • Therapeutics
    • Family
    • Phytochemicals
    • Natural Product Classes
  • Team
  • Contact

Chemoinformaics analysis of PSEUDOLYCORINE


Physiochemical Properties
Molecular Weight 289.331 nRot 1
Heavy Atom Molecular Weight 270.179 nRig 19
Exact Molecular Weight 289.131 nRing 4
Solubility: LogS -1.765 nHRing 2
Solubility: LogP 0.262 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 1
Base Count 1 No. of Aliphatic Carbocycles Rings 1
Atoms Count 40 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 21 No. of Aromatic Carbocycles 1
nHetero 5 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 19 No. of Saturated Hetero Cycles 1
No. of Carbon atom 16 No. of Saturated Rings 1
No. of Nitrogen atom 1 No. of Arom Atom 6
No. of Oxygen atom 4 No. of Arom Bond 6
nHA 5 APOL 43.6971
nHD 3 BPOL 22.5069
Medicinal Chemistry Properties
QED 0.665
Synth 4.128
Natural Product Likeliness 2.484
NR-PPAR-gamma 0.004
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.001
Pgp-sub 0.039
HIA 0.813
CACO-2 -4.926
Distribution
MDCK 0.0000115
BBB 0.965
PPB 0.64421
VDSS 3.93
Metabolism
FU 0.319822
CYP1A2-inh 0.055
CYP1A2-sub 0.26
CYP2c19-inh 0.016
CYP2c19-sub 0.833
CYP2c9-inh 0.004
CYP2c9-sub 0.354
CYP2d6-inh 0.129
CYP2d6-sub 0.789
CYP3a4-inh 0.003
CYP3a4-sub 0.532
Excretion
CL 11.301
T12 0.725
Toxicity
hERG 0.018
Ames 0.24
ROA 0.74
SkinSen 0.042
Carcinogencity 0.604
EI 0.009
Respiratory 0.92
NR-Aromatase 0.006
Antiviral Prediction
Antiviral Yes
Prediction 0.778442
OSADHI

A database of all the medicinal plants having PAN India presence.
Hosted at CSIR-North East Institute of Science and Technology, Jorhat

Our Other Tools

  • Molecular Property Diagnostic Suite (MPDS)
  • North East India Medicinal Plant Database (NEI-MPDB)
  • Aromatic–Aromatic Interactions Database (A2ID)
  • Cation Aromatic Database (CAD)

Useful Links

  • CSIR-NEIST
  • CSIR
  • More Links

© Copyrights CSIR-NEIST. All rights reserved.