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

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Chemoinformaics analysis of Dihydrowogonin


Physiochemical Properties
Molecular Weight 286.283 nRot 2
Heavy Atom Molecular Weight 272.171 nRig 18
Exact Molecular Weight 286.084 nRing 3
Solubility: LogS -3.754 nHRing 1
Solubility: LogP 3.017 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 35 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 21 No. of Aromatic Carbocycles 2
nHetero 5 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 14 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 12
No. of Oxygen atom 5 No. of Arom Bond 12
nHA 5 APOL 40.0651
nHD 2 BPOL 18.3849
Medicinal Chemistry Properties
QED 0.887
Synth 2.866
Natural Product Likeliness 1.755
NR-PPAR-gamma 0.934
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.503
Pgp-sub 0
HIA 0.006
CACO-2 -4.869
Distribution
MDCK 0.0000158
BBB 0.063
PPB 0.963301
VDSS 0.453
Metabolism
FU 0.034281
CYP1A2-inh 0.855
CYP1A2-sub 0.687
CYP2c19-inh 0.806
CYP2c19-sub 0.274
CYP2c9-inh 0.848
CYP2c9-sub 0.899
CYP2d6-inh 0.791
CYP2d6-sub 0.409
CYP3a4-inh 0.671
CYP3a4-sub 0.235
Excretion
CL 8.402
T12 0.474
Toxicity
hERG 0.077
Ames 0.128
ROA 0.813
SkinSen 0.9
Carcinogencity 0.402
EI 0.927
Respiratory 0.572
NR-Aromatase 0.056
Antiviral Prediction
Antiviral Yes
Prediction 0.886942
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