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

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Chemoinformaics analysis of Oxymatrine


Physiochemical Properties
Molecular Weight 264.369 nRot 0
Heavy Atom Molecular Weight 240.177 nRig 21
Exact Molecular Weight 264.184 nRing 4
Solubility: LogS -0.135 nHRing 4
Solubility: LogP 0.179 No. of Aliphatic Rings 4
Acid Count 0 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 43 No. of Aliphatic Hetero Cycles 4
No. of Heavy Atom 19 No. of Aromatic Carbocycles 0
nHetero 4 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 24 No. of Saturated Hetero Cycles 4
No. of Carbon atom 15 No. of Saturated Rings 4
No. of Nitrogen atom 2 No. of Arom Atom 0
No. of Oxygen atom 2 No. of Arom Bond 0
nHA 2 APOL 44.857
nHD 0 BPOL 28.663
Medicinal Chemistry Properties
QED 0.495
Synth 4.636
Natural Product Likeliness 1.628
NR-PPAR-gamma 0.005
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0
Pgp-sub 0.999
HIA 0.986
CACO-2 -5.554
Distribution
MDCK 0.0000134
BBB 0.158
PPB 0.106183
VDSS 0.96
Metabolism
FU 0.827481
CYP1A2-inh 0.021
CYP1A2-sub 0.291
CYP2c19-inh 0.042
CYP2c19-sub 0.39
CYP2c9-inh 0.007
CYP2c9-sub 0.161
CYP2d6-inh 0.014
CYP2d6-sub 0.225
CYP3a4-inh 0.032
CYP3a4-sub 0.358
Excretion
CL 10.769
T12 0.945
Toxicity
hERG 0.017
Ames 0.026
ROA 0.074
SkinSen 0.663
Carcinogencity 0.81
EI 0.077
Respiratory 0.591
NR-Aromatase 0.004
Antiviral Prediction
Antiviral Yes
Prediction 0.727534
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A database of all the medicinal plants having PAN India presence.
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