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

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Chemoinformaics analysis of ANACARDOL


Physiochemical Properties
Molecular Weight 302.502 nRot 13
Heavy Atom Molecular Weight 268.23 nRig 7
Exact Molecular Weight 302.261 nRing 1
Solubility: LogS -6.024 nHRing 0
Solubility: LogP 7.967 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 56 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 22 No. of Aromatic Carbocycles 1
nHetero 1 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 34 No. of Saturated Hetero Cycles 0
No. of Carbon atom 21 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 6
No. of Oxygen atom 1 No. of Arom Bond 6
nHA 1 APOL 58.543
nHD 1 BPOL 34.109
Medicinal Chemistry Properties
QED 0.314
Synth 2.074
Natural Product Likeliness 0.845
NR-PPAR-gamma 0.811
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.008
Pgp-sub 0.001
HIA 0.004
CACO-2 -4.774
Distribution
MDCK 0.00000994
BBB 0.229
PPB 0.987676
VDSS 3.548
Metabolism
FU 0.0081735
CYP1A2-inh 0.784
CYP1A2-sub 0.186
CYP2c19-inh 0.727
CYP2c19-sub 0.058
CYP2c9-inh 0.307
CYP2c9-sub 0.975
CYP2d6-inh 0.699
CYP2d6-sub 0.358
CYP3a4-inh 0.651
CYP3a4-sub 0.084
Excretion
CL 7.138
T12 0.234
Toxicity
hERG 0.2
Ames 0.012
ROA 0.026
SkinSen 0.969
Carcinogencity 0.053
EI 0.966
Respiratory 0.147
NR-Aromatase 0.371
Antiviral Prediction
Antiviral No
Prediction 0.565982
OSADHI

A database of all the medicinal plants having PAN India presence.
Hosted at CSIR-North East Institute of Science and Technology, Jorhat

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