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

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Chemoinformaics analysis of Oroxylin A


Physiochemical Properties
Molecular Weight 284.267 nRot 2
Heavy Atom Molecular Weight 272.171 nRig 18
Exact Molecular Weight 284.068 nRing 3
Solubility: LogS -3.608 nHRing 1
Solubility: LogP 3.439 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 33 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 21 No. of Aromatic Carbocycles 2
nHetero 5 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 12 No. of Saturated Hetero Cycles 0
No. of Carbon atom 16 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 5 No. of Arom Bond 17
nHA 5 APOL 38.7315
nHD 2 BPOL 16.3785
Medicinal Chemistry Properties
QED 0.756
Synth 2.246
Natural Product Likeliness 1.315
NR-PPAR-gamma 0.969
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.974
Pgp-sub 0.488
HIA 0.01
CACO-2 -4.88
Distribution
MDCK 0.0000156
BBB 0.017
PPB 0.970636
VDSS 0.49
Metabolism
FU 0.0600544
CYP1A2-inh 0.975
CYP1A2-sub 0.853
CYP2c19-inh 0.634
CYP2c19-sub 0.069
CYP2c9-inh 0.8
CYP2c9-sub 0.843
CYP2d6-inh 0.61
CYP2d6-sub 0.368
CYP3a4-inh 0.484
CYP3a4-sub 0.153
Excretion
CL 2.6
T12 0.689
Toxicity
hERG 0.067
Ames 0.522
ROA 0.125
SkinSen 0.899
Carcinogencity 0.248
EI 0.918
Respiratory 0.447
NR-Aromatase 0.841
Antiviral Prediction
Antiviral Yes
Prediction 0.799242
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