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

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Chemoinformaics analysis of (-)-ARGEMONINE


Physiochemical Properties
Molecular Weight 355.434 nRot 4
Heavy Atom Molecular Weight 330.234 nRig 20
Exact Molecular Weight 355.178 nRing 4
Solubility: LogS -2.662 nHRing 2
Solubility: LogP 2.639 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 2
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 51 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 26 No. of Aromatic Carbocycles 2
nHetero 5 No. of Aromatic Hetero Cycles 0
nBridge Head 2 No. Saturated Carbocycles 0
No. of Hydrogen atom 25 No. of Saturated Hetero Cycles 0
No. of Carbon atom 21 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 12
No. of Oxygen atom 4 No. of Arom Bond 12
nHA 5 APOL 56.0478
nHD 0 BPOL 33.7342
Medicinal Chemistry Properties
QED 0.839
Synth 3.823
Natural Product Likeliness 0.611
NR-PPAR-gamma 0.004
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.983
Pgp-sub 0.981
HIA 0.004
CACO-2 -4.683
Distribution
MDCK 0.0000386
BBB 0.98
PPB 0.782027
VDSS 1.092
Metabolism
FU 0.127954
CYP1A2-inh 0.065
CYP1A2-sub 0.975
CYP2c19-inh 0.191
CYP2c19-sub 0.952
CYP2c9-inh 0.024
CYP2c9-sub 0.785
CYP2d6-inh 0.085
CYP2d6-sub 0.941
CYP3a4-inh 0.058
CYP3a4-sub 0.945
Excretion
CL 10.689
T12 0.662
Toxicity
hERG 0.054
Ames 0.115
ROA 0.424
SkinSen 0.123
Carcinogencity 0.034
EI 0.01
Respiratory 0.919
NR-Aromatase 0.007
Antiviral Prediction
Antiviral Yes
Prediction 0.646061
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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