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

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Chemoinformaics analysis of Norpluviine


Physiochemical Properties
Molecular Weight 273.332 nRot 1
Heavy Atom Molecular Weight 254.18 nRig 19
Exact Molecular Weight 273.137 nRing 4
Solubility: LogS -1.663 nHRing 2
Solubility: LogP 1.373 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 1
Base Count 1 No. of Aliphatic Carbocycles Rings 1
Atoms Count 39 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 20 No. of Aromatic Carbocycles 1
nHetero 4 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 19 No. of Saturated Hetero Cycles 1
No. of Carbon atom 16 No. of Saturated Rings 1
No. of Nitrogen atom 1 No. of Arom Atom 6
No. of Oxygen atom 3 No. of Arom Bond 6
nHA 4 APOL 42.8951
nHD 2 BPOL 22.5069
Medicinal Chemistry Properties
QED 0.766
Synth 3.976
Natural Product Likeliness 2.497
NR-PPAR-gamma 0.003
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.012
Pgp-sub 0.774
HIA 0.018
CACO-2 -4.618
Distribution
MDCK 0.00000997
BBB 0.997
PPB 0.694027
VDSS 2.535
Metabolism
FU 0.230937
CYP1A2-inh 0.198
CYP1A2-sub 0.609
CYP2c19-inh 0.03
CYP2c19-sub 0.827
CYP2c9-inh 0.016
CYP2c9-sub 0.599
CYP2d6-inh 0.709
CYP2d6-sub 0.854
CYP3a4-inh 0.015
CYP3a4-sub 0.541
Excretion
CL 15.718
T12 0.786
Toxicity
hERG 0.019
Ames 0.053
ROA 0.814
SkinSen 0.107
Carcinogencity 0.939
EI 0.028
Respiratory 0.961
NR-Aromatase 0.011
Antiviral Prediction
Antiviral Yes
Prediction 0.721943
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