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

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Chemoinformaics analysis of Galactose sugar


Physiochemical Properties
Molecular Weight 180.156 nRot 5
Heavy Atom Molecular Weight 168.06 nRig 1
Exact Molecular Weight 180.063 nRing 0
Solubility: LogS 0.062 nHRing 0
Solubility: LogP -2.301 No. of Aliphatic Rings 0
Acid Count 0 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 12 No. of Aromatic Carbocycles 0
nHetero 6 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 12 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 6 No. of Arom Bond 0
nHA 6 APOL 22.8335
nHD 5 BPOL 12.9065
Medicinal Chemistry Properties
QED 0.301
Synth 3.801
Natural Product Likeliness 1.56
NR-PPAR-gamma 0.003
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0.007
Pgp-sub 0.102
HIA 0.192
CACO-2 -5.303
Distribution
MDCK 0.00404376
BBB 0.532
PPB 0.109129
VDSS 0.772
Metabolism
FU 0.781569
CYP1A2-inh 0.011
CYP1A2-sub 0.032
CYP2c19-inh 0.008
CYP2c19-sub 0.055
CYP2c9-inh 0.001
CYP2c9-sub 0.075
CYP2d6-inh 0
CYP2d6-sub 0.099
CYP3a4-inh 0.003
CYP3a4-sub 0.011
Excretion
CL 1.269
T12 0.903
Toxicity
hERG 0.087
Ames 0.054
ROA 0.017
SkinSen 0.048
Carcinogencity 0.004
EI 0.033
Respiratory 0.018
NR-Aromatase 0.003
Antiviral Prediction
Antiviral No
Prediction 0.868613
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A database of all the medicinal plants having PAN India presence.
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