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 Farrerol


Physiochemical Properties
Molecular Weight 300.31 nRot 1
Heavy Atom Molecular Weight 284.182 nRig 18
Exact Molecular Weight 300.1 nRing 3
Solubility: LogS -3.571 nHRing 1
Solubility: LogP 3.461 No. of Aliphatic Rings 1
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 1
No. of Heavy Atom 22 No. of Aromatic Carbocycles 2
nHetero 5 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 16 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 5 No. of Arom Bond 12
nHA 5 APOL 43.0687
nHD 3 BPOL 18.6553
Medicinal Chemistry Properties
QED 0.753
Synth 3.027
Natural Product Likeliness 1.891
NR-PPAR-gamma 0.915
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.003
Pgp-sub 0.001
HIA 0.005
CACO-2 -4.847
Distribution
MDCK 0.000012
BBB 0.029
PPB 0.983544
VDSS 0.339
Metabolism
FU 0.0174367
CYP1A2-inh 0.332
CYP1A2-sub 0.724
CYP2c19-inh 0.731
CYP2c19-sub 0.172
CYP2c9-inh 0.844
CYP2c9-sub 0.91
CYP2d6-inh 0.554
CYP2d6-sub 0.356
CYP3a4-inh 0.451
CYP3a4-sub 0.247
Excretion
CL 12.031
T12 0.615
Toxicity
hERG 0.078
Ames 0.026
ROA 0.845
SkinSen 0.946
Carcinogencity 0.48
EI 0.912
Respiratory 0.246
NR-Aromatase 0.6
Antiviral Prediction
Antiviral Yes
Prediction 0.856867
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.