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

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Chemoinformaics analysis of Flavonols


Physiochemical Properties
Molecular Weight 238.242 nRot 1
Heavy Atom Molecular Weight 228.162 nRig 18
Exact Molecular Weight 238.063 nRing 3
Solubility: LogS -3.781 nHRing 1
Solubility: LogP 3.566 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 28 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 18 No. of Aromatic Carbocycles 2
nHetero 3 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 3 No. of Arom Bond 17
nHA 3 APOL 34.1239
nHD 1 BPOL 12.6361
Medicinal Chemistry Properties
QED 0.708
Synth 1.806
Natural Product Likeliness 0.641
NR-PPAR-gamma 0.956
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.992
Pgp-sub 0.002
HIA 0.005
CACO-2 -4.835
Distribution
MDCK 0.0000174
BBB 0.084
PPB 0.976976
VDSS 0.425
Metabolism
FU 0.0165131
CYP1A2-inh 0.974
CYP1A2-sub 0.209
CYP2c19-inh 0.765
CYP2c19-sub 0.07
CYP2c9-inh 0.637
CYP2c9-sub 0.807
CYP2d6-inh 0.091
CYP2d6-sub 0.27
CYP3a4-inh 0.064
CYP3a4-sub 0.163
Excretion
CL 1.746
T12 0.44
Toxicity
hERG 0.008
Ames 0.494
ROA 0.156
SkinSen 0.186
Carcinogencity 0.43
EI 0.899
Respiratory 0.213
NR-Aromatase 0.909
Antiviral Prediction
Antiviral Yes
Prediction 0.744795
OSADHI

A database of all the medicinal plants having PAN India presence.
Hosted at CSIR-North East Institute of Science and Technology, Jorhat

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