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

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Chemoinformaics analysis of D-GLUCARIC ACID


Physiochemical Properties
Molecular Weight 210.138 nRot 5
Heavy Atom Molecular Weight 200.058 nRig 2
Exact Molecular Weight 210.038 nRing 0
Solubility: LogS -0.157 nHRing 0
Solubility: LogP -2.555 No. of Aliphatic Rings 0
Acid Count 2 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 24 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 14 No. of Aromatic Carbocycles 0
nHetero 8 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 10 No. of Saturated Hetero Cycles 0
No. of Carbon atom 6 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 8 No. of Arom Bond 0
nHA 6 APOL 23.1039
nHD 6 BPOL 11.7681
Medicinal Chemistry Properties
QED 0.196
Synth 4.092
Natural Product Likeliness 0.544
NR-PPAR-gamma 0.002
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.001
Pgp-sub 0.387
HIA 0.915
CACO-2 -5.757
Distribution
MDCK 0.00472954
BBB 0.78
PPB 0.182502
VDSS 0.266
Metabolism
FU 0.681339
CYP1A2-inh 0.007
CYP1A2-sub 0.021
CYP2c19-inh 0.015
CYP2c19-sub 0.054
CYP2c9-inh 0.002
CYP2c9-sub 0.063
CYP2d6-inh 0.002
CYP2d6-sub 0.094
CYP3a4-inh 0.005
CYP3a4-sub 0.006
Excretion
CL 1.331
T12 0.814
Toxicity
hERG 0.052
Ames 0.02
ROA 0.004
SkinSen 0.137
Carcinogencity 0.003
EI 0.023
Respiratory 0.583
NR-Aromatase 0.004
Antiviral Prediction
Antiviral No
Prediction 0.925
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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