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 TRIFOLIAN


Physiochemical Properties
Molecular Weight 330.292 nRot 1
Heavy Atom Molecular Weight 316.18 nRig 24
Exact Molecular Weight 330.074 nRing 5
Solubility: LogS -3.964 nHRing 3
Solubility: LogP 2.373 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 38 No. of Aliphatic Hetero Cycles 3
No. of Heavy Atom 24 No. of Aromatic Carbocycles 2
nHetero 7 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 14 No. of Saturated Hetero Cycles 0
No. of Carbon atom 17 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 12
No. of Oxygen atom 7 No. of Arom Bond 12
nHA 7 APOL 43.3391
nHD 2 BPOL 22.7249
Medicinal Chemistry Properties
QED 0.83
Synth 3.681
Natural Product Likeliness 2.172
NR-PPAR-gamma 0.757
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.056
Pgp-sub 0.001
HIA 0.005
CACO-2 -5.069
Distribution
MDCK 0.0000265
BBB 0.006
PPB 0.974944
VDSS 0.651
Metabolism
FU 0.0392633
CYP1A2-inh 0.586
CYP1A2-sub 0.912
CYP2c19-inh 0.822
CYP2c19-sub 0.763
CYP2c9-inh 0.779
CYP2c9-sub 0.865
CYP2d6-inh 0.827
CYP2d6-sub 0.76
CYP3a4-inh 0.874
CYP3a4-sub 0.716
Excretion
CL 15.899
T12 0.214
Toxicity
hERG 0.043
Ames 0.318
ROA 0.493
SkinSen 0.89
Carcinogencity 0.841
EI 0.651
Respiratory 0.479
NR-Aromatase 0.432
Antiviral Prediction
Antiviral Yes
Prediction 0.782667
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.