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

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Chemoinformaics analysis of Morin


Physiochemical Properties
Molecular Weight 302.238 nRot 1
Heavy Atom Molecular Weight 292.158 nRig 18
Exact Molecular Weight 302.043 nRing 3
Solubility: LogS -3.497 nHRing 1
Solubility: LogP 2.079 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 32 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 22 No. of Aromatic Carbocycles 2
nHetero 7 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 7 No. of Arom Bond 17
nHA 7 APOL 37.3319
nHD 5 BPOL 12.6361
Medicinal Chemistry Properties
QED 0.464
Synth 2.613
Natural Product Likeliness 1.598
NR-PPAR-gamma 0.962
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.005
Pgp-sub 0.007
HIA 0.012
CACO-2 -5.182
Distribution
MDCK 0.000007
BBB 0.011
PPB 0.962477
VDSS 0.551
Metabolism
FU 0.0623131
CYP1A2-inh 0.953
CYP1A2-sub 0.116
CYP2c19-inh 0.087
CYP2c19-sub 0.041
CYP2c9-inh 0.636
CYP2c9-sub 0.826
CYP2d6-inh 0.587
CYP2d6-sub 0.242
CYP3a4-inh 0.618
CYP3a4-sub 0.051
Excretion
CL 7.912
T12 0.931
Toxicity
hERG 0.157
Ames 0.616
ROA 0.053
SkinSen 0.87
Carcinogencity 0.035
EI 0.931
Respiratory 0.057
NR-Aromatase 0.91
Antiviral Prediction
Antiviral Yes
Prediction 0.735804
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