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 MANSONONE F


Physiochemical Properties
Molecular Weight 240.258 nRot 0
Heavy Atom Molecular Weight 228.162 nRig 17
Exact Molecular Weight 240.079 nRing 3
Solubility: LogS -4.815 nHRing 1
Solubility: LogP 3.192 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 30 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 18 No. of Aromatic Carbocycles 1
nHetero 3 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 12 No. of Saturated Hetero Cycles 0
No. of Carbon atom 15 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 6
No. of Oxygen atom 3 No. of Arom Bond 6
nHA 3 APOL 35.4575
nHD 0 BPOL 15.5105
Medicinal Chemistry Properties
QED 0.655
Synth 3.259
Natural Product Likeliness 1.809
NR-PPAR-gamma 0.025
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.016
Pgp-sub 0.001
HIA 0.003
CACO-2 -4.735
Distribution
MDCK 0.0000246
BBB 0.13
PPB 0.874209
VDSS 1.046
Metabolism
FU 0.0720438
CYP1A2-inh 0.981
CYP1A2-sub 0.751
CYP2c19-inh 0.821
CYP2c19-sub 0.106
CYP2c9-inh 0.799
CYP2c9-sub 0.289
CYP2d6-inh 0.76
CYP2d6-sub 0.134
CYP3a4-inh 0.79
CYP3a4-sub 0.173
Excretion
CL 2.573
T12 0.134
Toxicity
hERG 0.082
Ames 0.951
ROA 0.789
SkinSen 0.68
Carcinogencity 0.968
EI 0.937
Respiratory 0.638
NR-Aromatase 0.01
Antiviral Prediction
Antiviral Yes
Prediction 0.655453
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.