OSADHI - Online Structural and Analytics based Database for Herbs of India

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Chemoinformaics analysis of PLATANIC-ACID


Physiochemical Properties
Molecular Weight 534.69 nRot 2
Heavy Atom Molecular Weight 488.322 nRig 28
Exact Molecular Weight 534.319 nRing 5
Solubility: LogS -3.667 nHRing 0
Solubility: LogP 2.538 No. of Aliphatic Rings 5
Acid Count 2 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 5
Atoms Count 84 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 38 No. of Aromatic Carbocycles 0
nHetero 8 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 4
No. of Hydrogen atom 46 No. of Saturated Hetero Cycles 0
No. of Carbon atom 30 No. of Saturated Rings 4
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 8 No. of Arom Bond 0
nHA 6 APOL 87.1885
nHD 6 BPOL 47.8835
Medicinal Chemistry Properties
QED 0.295
Synth 5.326
Natural Product Likeliness 3.164
NR-PPAR-gamma 0.954
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 0.008
HIA 0.83
CACO-2 -6.003
Distribution
MDCK 0.000457389
BBB 0.724
PPB 0.834778
VDSS 0.399
Metabolism
FU 0.164087
CYP1A2-inh 0.002
CYP1A2-sub 0.193
CYP2c19-inh 0.001
CYP2c19-sub 0.792
CYP2c9-inh 0.014
CYP2c9-sub 0.211
CYP2d6-inh 0.001
CYP2d6-sub 0.117
CYP3a4-inh 0.038
CYP3a4-sub 0.058
Excretion
CL 1.906
T12 0.122
Toxicity
hERG 0.001
Ames 0.018
ROA 0.23
SkinSen 0.005
Carcinogencity 0.072
EI 0.014
Respiratory 0.761
NR-Aromatase 0.687
Antiviral Prediction
Antiviral Yes
Prediction 0.749267
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

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  • Aromatic–Aromatic Interactions Database (A2ID)
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