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

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Chemoinformaics analysis of Sodium Gallate


Physiochemical Properties
Molecular Weight 192.102 nRot 1
Heavy Atom Molecular Weight 187.062 nRig 7
Exact Molecular Weight 192.003 nRing 1
Solubility: LogS -0.021 nHRing 0
Solubility: LogP -1.167 No. of Aliphatic Rings 0
Acid Count 1 No. of Aromatic Rings 1
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 18 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 13 No. of Aromatic Carbocycles 1
nHetero 6 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 5 No. of Saturated Hetero Cycles 0
No. of Carbon atom 7 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 6
No. of Oxygen atom 5 No. of Arom Bond 6
nHA 5 APOL 43.144
nHD 3 BPOL 6.75204
Medicinal Chemistry Properties
QED 0.476
Synth 3.002
Natural Product Likeliness 0.688
NR-PPAR-gamma 0.043
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0.002
Pgp-sub 0.001
HIA 0.01
CACO-2 -5.213
Distribution
MDCK 0.0000141
BBB 0.17
PPB 0.730864
VDSS 0.377
Metabolism
FU 0.155806
CYP1A2-inh 0.027
CYP1A2-sub 0.061
CYP2c19-inh 0.023
CYP2c19-sub 0.046
CYP2c9-inh 0.264
CYP2c9-sub 0.125
CYP2d6-inh 0.012
CYP2d6-sub 0.127
CYP3a4-inh 0.068
CYP3a4-sub 0.032
Excretion
CL 5.541
T12 0.927
Toxicity
hERG 0.016
Ames 0.135
ROA 0.028
SkinSen 0.897
Carcinogencity 0.038
EI 0.924
Respiratory 0.381
NR-Aromatase 0.005
Antiviral Prediction
Antiviral No
Prediction 0.859715
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