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

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Chemoinformaics analysis of Tannic acid


Physiochemical Properties
Molecular Weight 1701.21 nRot 21
Heavy Atom Molecular Weight 1648.79 nRig 76
Exact Molecular Weight 1700.17 nRing 11
Solubility: LogS 0.292 nHRing 1
Solubility: LogP 3.868 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 10
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 174 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 122 No. of Aromatic Carbocycles 10
nHetero 46 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 52 No. of Saturated Hetero Cycles 1
No. of Carbon atom 76 No. of Saturated Rings 1
No. of Nitrogen atom 0 No. of Arom Atom 60
No. of Oxygen atom 46 No. of Arom Bond 60
nHA 46 APOL 198.485
nHD 25 BPOL 79.9428
Medicinal Chemistry Properties
QED 0.02
Synth 6.542
Natural Product Likeliness 0.379
NR-PPAR-gamma 0.009
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.343
Pgp-sub 0
HIA 1
CACO-2 -7.764
Distribution
MDCK 0.00000654
BBB 0
PPB 0.975634
VDSS -0.35
Metabolism
FU 1.04287
CYP1A2-inh 0.692
CYP1A2-sub 0
CYP2c19-inh 0.002
CYP2c19-sub 0.002
CYP2c9-inh 0.057
CYP2c9-sub 0.001
CYP2d6-inh 0
CYP2d6-sub 0.013
CYP3a4-inh 0
CYP3a4-sub 0
Excretion
CL 13.884
T12 0.997
Toxicity
hERG 0.002
Ames 0.007
ROA 0
SkinSen 0.996
Carcinogencity 0.001
EI 0.987
Respiratory 0
NR-Aromatase 0.031
Antiviral Prediction
Antiviral Yes
Prediction 0.698188
OSADHI

A database of all the medicinal plants having PAN India presence.
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