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

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Chemoinformaics analysis of STROBIC-ACID


Physiochemical Properties
Molecular Weight 302.458 nRot 1
Heavy Atom Molecular Weight 272.218 nRig 18
Exact Molecular Weight 302.225 nRing 3
Solubility: LogS -4.432 nHRing 0
Solubility: LogP 5.202 No. of Aliphatic Rings 3
Acid Count 1 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 3
Atoms Count 52 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 22 No. of Aromatic Carbocycles 0
nHetero 2 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 2
No. of Hydrogen atom 30 No. of Saturated Hetero Cycles 0
No. of Carbon atom 20 No. of Saturated Rings 2
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 2 No. of Arom Bond 0
nHA 1 APOL 55.0078
nHD 1 BPOL 30.9642
Medicinal Chemistry Properties
QED 0.675
Synth 4.425
Natural Product Likeliness 2.963
NR-PPAR-gamma 0.886
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.001
Pgp-sub 0
HIA 0.01
CACO-2 -4.832
Distribution
MDCK 0.0000167
BBB 0.078
PPB 0.979494
VDSS 0.595
Metabolism
FU 0.022883
CYP1A2-inh 0.06
CYP1A2-sub 0.57
CYP2c19-inh 0.027
CYP2c19-sub 0.86
CYP2c9-inh 0.21
CYP2c9-sub 0.464
CYP2d6-inh 0.011
CYP2d6-sub 0.245
CYP3a4-inh 0.284
CYP3a4-sub 0.245
Excretion
CL 1.042
T12 0.084
Toxicity
hERG 0.001
Ames 0.006
ROA 0.157
SkinSen 0.041
Carcinogencity 0.596
EI 0.068
Respiratory 0.955
NR-Aromatase 0.04
Antiviral Prediction
Antiviral No
Prediction 0.568269
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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