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

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Chemoinformaics analysis of BETA-GALACTAN


Physiochemical Properties
Molecular Weight 504.438 nRot 7
Heavy Atom Molecular Weight 472.182 nRig 18
Exact Molecular Weight 504.169 nRing 3
Solubility: LogS 0.411 nHRing 3
Solubility: LogP -4.064 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 66 No. of Aliphatic Hetero Cycles 3
No. of Heavy Atom 34 No. of Aromatic Carbocycles 0
nHetero 16 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 32 No. of Saturated Hetero Cycles 3
No. of Carbon atom 18 No. of Saturated Rings 3
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 16 No. of Arom Bond 0
nHA 16 APOL 64.2294
nHD 11 BPOL 40.7826
Medicinal Chemistry Properties
QED 0.154
Synth 4.74
Natural Product Likeliness 1.634
NR-PPAR-gamma 0.007
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.001
Pgp-sub 0.895
HIA 0.999
CACO-2 -6.21
Distribution
MDCK 0.000866064
BBB 0.421
PPB 0.105237
VDSS 0.229
Metabolism
FU 0.589588
CYP1A2-inh 0
CYP1A2-sub 0.005
CYP2c19-inh 0.002
CYP2c19-sub 0.049
CYP2c9-inh 0
CYP2c9-sub 0.043
CYP2d6-inh 0
CYP2d6-sub 0.065
CYP3a4-inh 0.002
CYP3a4-sub 0
Excretion
CL 0.794
T12 0.606
Toxicity
hERG 0.032
Ames 0.097
ROA 0.108
SkinSen 0.005
Carcinogencity 0.008
EI 0.005
Respiratory 0.005
NR-Aromatase 0.011
Antiviral Prediction
Antiviral Yes
Prediction 0.689118
OSADHI

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