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

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Chemoinformaics analysis of Galantamine


Physiochemical Properties
Molecular Weight 287.359 nRot 1
Heavy Atom Molecular Weight 266.191 nRig 20
Exact Molecular Weight 287.152 nRing 4
Solubility: LogS -1.607 nHRing 2
Solubility: LogP 1.339 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 1
Base Count 1 No. of Aliphatic Carbocycles Rings 1
Atoms Count 42 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 21 No. of Aromatic Carbocycles 1
nHetero 4 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 21 No. of Saturated Hetero Cycles 0
No. of Carbon atom 17 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 6
No. of Oxygen atom 3 No. of Arom Bond 6
nHA 4 APOL 45.8987
nHD 1 BPOL 26.2493
Medicinal Chemistry Properties
QED 0.801
Synth 4.227
Natural Product Likeliness 2.115
NR-PPAR-gamma 0.011
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.003
Pgp-sub 0.942
HIA 0.004
CACO-2 -4.771
Distribution
MDCK 0.0000191
BBB 0.998
PPB 0.196989
VDSS 2.869
Metabolism
FU 0.704492
CYP1A2-inh 0.181
CYP1A2-sub 0.843
CYP2c19-inh 0.036
CYP2c19-sub 0.946
CYP2c9-inh 0.011
CYP2c9-sub 0.513
CYP2d6-inh 0.914
CYP2d6-sub 0.919
CYP3a4-inh 0.05
CYP3a4-sub 0.85
Excretion
CL 4.481
T12 0.482
Toxicity
hERG 0.442
Ames 0.013
ROA 0.864
SkinSen 0.605
Carcinogencity 0.093
EI 0.011
Respiratory 0.958
NR-Aromatase 0.581
Antiviral Prediction
Antiviral Yes
Prediction 0.770939
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