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

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Chemoinformaics analysis of Flavone


Physiochemical Properties
Molecular Weight 222.243 nRot 1
Heavy Atom Molecular Weight 212.163 nRig 18
Exact Molecular Weight 222.068 nRing 3
Solubility: LogS -4.864 nHRing 1
Solubility: LogP 3.844 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 27 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 17 No. of Aromatic Carbocycles 2
nHetero 2 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 10 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 2 No. of Arom Bond 17
nHA 2 APOL 33.3219
nHD 0 BPOL 12.6361
Medicinal Chemistry Properties
QED 0.631
Synth 1.647
Natural Product Likeliness 0.289
NR-PPAR-gamma 0.046
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.979
Pgp-sub 0.151
HIA 0.005
CACO-2 -4.667
Distribution
MDCK 0.0000152
BBB 0.062
PPB 0.968977
VDSS 0.834
Metabolism
FU 0.0295575
CYP1A2-inh 0.988
CYP1A2-sub 0.529
CYP2c19-inh 0.813
CYP2c19-sub 0.088
CYP2c9-inh 0.545
CYP2c9-sub 0.859
CYP2d6-inh 0.055
CYP2d6-sub 0.757
CYP3a4-inh 0.043
CYP3a4-sub 0.205
Excretion
CL 3.135
T12 0.185
Toxicity
hERG 0.142
Ames 0.807
ROA 0.439
SkinSen 0.322
Carcinogencity 0.781
EI 0.971
Respiratory 0.39
NR-Aromatase 0.816
Antiviral Prediction
Antiviral Yes
Prediction 0.675938
OSADHI

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