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

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Chemoinformaics analysis of OXYHYDRASTININE


Physiochemical Properties
Molecular Weight 205.213 nRot 0
Heavy Atom Molecular Weight 194.125 nRig 16
Exact Molecular Weight 205.074 nRing 3
Solubility: LogS -2.032 nHRing 2
Solubility: LogP 1.024 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 26 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 15 No. of Aromatic Carbocycles 1
nHetero 4 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 11 No. of Saturated Hetero Cycles 0
No. of Carbon atom 11 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 6
No. of Oxygen atom 3 No. of Arom Bond 6
nHA 3 APOL 29.2107
nHD 0 BPOL 17.0853
Medicinal Chemistry Properties
QED 0.635
Synth 2.281
Natural Product Likeliness 0.55
NR-PPAR-gamma 0.002
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.002
Pgp-sub 0.002
HIA 0.002
CACO-2 -4.564
Distribution
MDCK 0.0000238
BBB 0.982
PPB 0.599886
VDSS 1.808
Metabolism
FU 0.39898
CYP1A2-inh 0.949
CYP1A2-sub 0.731
CYP2c19-inh 0.423
CYP2c19-sub 0.79
CYP2c9-inh 0.037
CYP2c9-sub 0.808
CYP2d6-inh 0.775
CYP2d6-sub 0.871
CYP3a4-inh 0.552
CYP3a4-sub 0.217
Excretion
CL 7.076
T12 0.697
Toxicity
hERG 0.029
Ames 0.02
ROA 0.015
SkinSen 0.147
Carcinogencity 0.955
EI 0.249
Respiratory 0.032
NR-Aromatase 0.03
Antiviral Prediction
Antiviral No
Prediction 0.668539
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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