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

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Chemoinformaics analysis of Apigeninidin


Physiochemical Properties
Molecular Weight 290.702 nRot 1
Heavy Atom Molecular Weight 279.614 nRig 17
Exact Molecular Weight 290.035 nRing 3
Solubility: LogS -3.431 nHRing 1
Solubility: LogP 3.649 No. of Aliphatic Rings 0
Acid Count 1 No. of Aromatic Rings 3
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 31 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 20 No. of Aromatic Carbocycles 2
nHetero 5 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 11 No. of Saturated Hetero Cycles 0
No. of Carbon atom 15 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 4 No. of Arom Bond 17
nHA 3 APOL 37.7727
nHD 3 BPOL 12.7713
Medicinal Chemistry Properties
QED 0.582
Synth 2.752
Natural Product Likeliness 1.304
NR-PPAR-gamma 0.343
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.01
Pgp-sub 0.367
HIA 0.009
CACO-2 -4.843
Distribution
MDCK 0.0000113
BBB 0.013
PPB 0.984502
VDSS 0.693
Metabolism
FU 0.023837
CYP1A2-inh 0.975
CYP1A2-sub 0.301
CYP2c19-inh 0.341
CYP2c19-sub 0.057
CYP2c9-inh 0.352
CYP2c9-sub 0.936
CYP2d6-inh 0.868
CYP2d6-sub 0.875
CYP3a4-inh 0.663
CYP3a4-sub 0.135
Excretion
CL 11.101
T12 0.88
Toxicity
hERG 0.051
Ames 0.25
ROA 0.347
SkinSen 0.942
Carcinogencity 0.484
EI 0.965
Respiratory 0.338
NR-Aromatase 0.883
Antiviral Prediction
Antiviral Yes
Prediction 0.754079
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