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

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Chemoinformaics analysis of glycine


Physiochemical Properties
Molecular Weight 75.067 nRot 1
Heavy Atom Molecular Weight 70.027 nRig 1
Exact Molecular Weight 75.032 nRing 0
Solubility: LogS 0.434 nHRing 0
Solubility: LogP -2.931 No. of Aliphatic Rings 0
Acid Count 1 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 10 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 5 No. of Aromatic Carbocycles 0
nHetero 3 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 2 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 0
No. of Oxygen atom 2 No. of Arom Bond 0
nHA 2 APOL 9.37796
nHD 2 BPOL 5.31403
Medicinal Chemistry Properties
QED 0.421
Synth 2.052
Natural Product Likeliness 0.45
NR-PPAR-gamma 0.006
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0.001
Pgp-sub 0.007
HIA 0.008
CACO-2 -5.766
Distribution
MDCK 0.0044286
BBB 0.228
PPB 0.0854772
VDSS 0.541
Metabolism
FU 0.860024
CYP1A2-inh 0.012
CYP1A2-sub 0.073
CYP2c19-inh 0.032
CYP2c19-sub 0.056
CYP2c9-inh 0.017
CYP2c9-sub 0.767
CYP2d6-inh 0.015
CYP2d6-sub 0.251
CYP3a4-inh 0.012
CYP3a4-sub 0.035
Excretion
CL 4.173
T12 0.766
Toxicity
hERG 0.016
Ames 0.156
ROA 0.192
SkinSen 0.293
Carcinogencity 0.107
EI 0.194
Respiratory 0.353
NR-Aromatase 0.004
Antiviral Prediction
Antiviral No
Prediction 0.946667
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A database of all the medicinal plants having PAN India presence.
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