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 Oripavidine


Physiochemical Properties
Molecular Weight 283.327 nRot 1
Heavy Atom Molecular Weight 266.191 nRig 22
Exact Molecular Weight 283.121 nRing 5
Solubility: LogS -1.891 nHRing 2
Solubility: LogP 1.561 No. of Aliphatic Rings 4
Acid Count 0 No. of Aromatic Rings 1
Base Count 1 No. of Aliphatic Carbocycles Rings 2
Atoms Count 38 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 21 No. of Aromatic Carbocycles 1
nHetero 4 No. of Aromatic Hetero Cycles 0
nBridge Head 2 No. Saturated Carbocycles 0
No. of Hydrogen atom 17 No. of Saturated Hetero Cycles 1
No. of Carbon atom 17 No. of Saturated Rings 1
No. of Nitrogen atom 1 No. of Arom Atom 6
No. of Oxygen atom 3 No. of Arom Bond 6
nHA 4 APOL 43.2315
nHD 2 BPOL 21.0965
Medicinal Chemistry Properties
QED 0.825
Synth 5.384
Natural Product Likeliness 2.525
NR-PPAR-gamma 0.009
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.002
Pgp-sub 0.988
HIA 0.005
CACO-2 -5.337
Distribution
MDCK 0.0000166
BBB 0.967
PPB 0.328139
VDSS 2.76
Metabolism
FU 0.687279
CYP1A2-inh 0.134
CYP1A2-sub 0.295
CYP2c19-inh 0.064
CYP2c19-sub 0.739
CYP2c9-inh 0.019
CYP2c9-sub 0.35
CYP2d6-inh 0.414
CYP2d6-sub 0.871
CYP3a4-inh 0.021
CYP3a4-sub 0.903
Excretion
CL 8.866
T12 0.526
Toxicity
hERG 0.709
Ames 0.633
ROA 0.986
SkinSen 0.872
Carcinogencity 0.731
EI 0.013
Respiratory 0.957
NR-Aromatase 0.154
Antiviral Prediction
Antiviral Yes
Prediction 0.740844
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.