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

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Chemoinformaics analysis of OCHNAFLAVONE


Physiochemical Properties
Molecular Weight 538.464 nRot 4
Heavy Atom Molecular Weight 520.32 nRig 36
Exact Molecular Weight 538.09 nRing 6
Solubility: LogS -4.512 nHRing 2
Solubility: LogP 5.847 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 6
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 58 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 40 No. of Aromatic Carbocycles 4
nHetero 10 No. of Aromatic Hetero Cycles 2
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 18 No. of Saturated Hetero Cycles 0
No. of Carbon atom 30 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 32
No. of Oxygen atom 10 No. of Arom Bond 34
nHA 10 APOL 70.1223
nHD 5 BPOL 25.0017
Medicinal Chemistry Properties
QED 0.192
Synth 2.915
Natural Product Likeliness 0.732
NR-PPAR-gamma 0.986
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.036
Pgp-sub 0.024
HIA 0.399
CACO-2 -5.211
Distribution
MDCK 0.0000115
BBB 0.001
PPB 0.970484
VDSS 0.473
Metabolism
FU 0.0474091
CYP1A2-inh 0.937
CYP1A2-sub 0.114
CYP2c19-inh 0.857
CYP2c19-sub 0.037
CYP2c9-inh 0.596
CYP2c9-sub 0.931
CYP2d6-inh 0.148
CYP2d6-sub 0.846
CYP3a4-inh 0.397
CYP3a4-sub 0.076
Excretion
CL 3.924
T12 0.728
Toxicity
hERG 0.084
Ames 0.193
ROA 0.224
SkinSen 0.956
Carcinogencity 0.109
EI 0.915
Respiratory 0.121
NR-Aromatase 0.972
Antiviral Prediction
Antiviral Yes
Prediction 0.654762
OSADHI

A database of all the medicinal plants having PAN India presence.
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