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

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Chemoinformaics analysis of d-(+)-tartaric acid


Physiochemical Properties
Molecular Weight 150.086 nRot 3
Heavy Atom Molecular Weight 144.038 nRig 2
Exact Molecular Weight 150.016 nRing 0
Solubility: LogS -0.439 nHRing 0
Solubility: LogP -1.786 No. of Aliphatic Rings 0
Acid Count 2 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 16 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 10 No. of Aromatic Carbocycles 0
nHetero 6 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 6 No. of Saturated Hetero Cycles 0
No. of Carbon atom 4 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 6 No. of Arom Bond 0
nHA 4 APOL 15.4928
nHD 4 BPOL 7.75524
Medicinal Chemistry Properties
QED 0.248
Synth 3.397
Natural Product Likeliness 0.284
NR-PPAR-gamma 0.003
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 0.058
HIA 0.7
CACO-2 -5.677
Distribution
MDCK 0.00882976
BBB 0.662
PPB 0.143445
VDSS 0.268
Metabolism
FU 0.786503
CYP1A2-inh 0.007
CYP1A2-sub 0.048
CYP2c19-inh 0.021
CYP2c19-sub 0.077
CYP2c9-inh 0.005
CYP2c9-sub 0.044
CYP2d6-inh 0.003
CYP2d6-sub 0.103
CYP3a4-inh 0.008
CYP3a4-sub 0.021
Excretion
CL 1.498
T12 0.775
Toxicity
hERG 0.01
Ames 0.02
ROA 0.027
SkinSen 0.741
Carcinogencity 0.005
EI 0.991
Respiratory 0.888
NR-Aromatase 0.005
Antiviral Prediction
Antiviral No
Prediction 0.943667
OSADHI

A database of all the medicinal plants having PAN India presence.
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