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 P-MENTHANE


Physiochemical Properties
Molecular Weight 140.27 nRot 1
Heavy Atom Molecular Weight 120.11 nRig 6
Exact Molecular Weight 140.156 nRing 1
Solubility: LogS -5.129 nHRing 0
Solubility: LogP 4.763 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 30 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 10 No. of Aromatic Carbocycles 0
nHetero 0 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 1
No. of Hydrogen atom 20 No. of Saturated Hetero Cycles 0
No. of Carbon atom 10 No. of Saturated Rings 1
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 0 No. of Arom Bond 0
nHA 0 APOL 30.0359
nHD 0 BPOL 20.0641
Medicinal Chemistry Properties
QED 0.523
Synth 1.994
Natural Product Likeliness 0.47
NR-PPAR-gamma 0.003
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 0.073
HIA 0.003
CACO-2 -4.343
Distribution
MDCK 0.0000193
BBB 0.685
PPB 0.968898
VDSS 2.501
Metabolism
FU 0.0190984
CYP1A2-inh 0.355
CYP1A2-sub 0.666
CYP2c19-inh 0.299
CYP2c19-sub 0.889
CYP2c9-inh 0.544
CYP2c9-sub 0.917
CYP2d6-inh 0.02
CYP2d6-sub 0.118
CYP3a4-inh 0.061
CYP3a4-sub 0.298
Excretion
CL 8.269
T12 0.137
Toxicity
hERG 0.029
Ames 0.009
ROA 0.038
SkinSen 0.25
Carcinogencity 0.056
EI 0.991
Respiratory 0.052
NR-Aromatase 0.004
Antiviral Prediction
Antiviral No
Prediction 0.934317
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.