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

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Chemoinformaics analysis of GALACTURONIC-ACID


Physiochemical Properties
Molecular Weight 235.192 nRot 6
Heavy Atom Molecular Weight 222.088 nRig 3
Exact Molecular Weight 235.069 nRing 0
Solubility: LogS -0.029 nHRing 0
Solubility: LogP -2.497 No. of Aliphatic Rings 0
Acid Count 1 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 29 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 16 No. of Aromatic Carbocycles 0
nHetero 8 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 13 No. of Saturated Hetero Cycles 0
No. of Carbon atom 8 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 0
No. of Oxygen atom 7 No. of Arom Bond 0
nHA 6 APOL 28.7423
nHD 5 BPOL 16.2157
Medicinal Chemistry Properties
QED 0.181
Synth 4.261
Natural Product Likeliness 0.843
NR-PPAR-gamma 0.005
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0.002
Pgp-sub 0.959
HIA 0.236
CACO-2 -5.434
Distribution
MDCK 0.00183662
BBB 0.254
PPB 0.272774
VDSS 0.467
Metabolism
FU 0.737409
CYP1A2-inh 0.001
CYP1A2-sub 0.031
CYP2c19-inh 0.019
CYP2c19-sub 0.05
CYP2c9-inh 0.001
CYP2c9-sub 0.134
CYP2d6-inh 0.001
CYP2d6-sub 0.076
CYP3a4-inh 0.004
CYP3a4-sub 0.01
Excretion
CL 1.581
T12 0.875
Toxicity
hERG 0.02
Ames 0.06
ROA 0.002
SkinSen 0.388
Carcinogencity 0.008
EI 0.025
Respiratory 0.181
NR-Aromatase 0.004
Antiviral Prediction
Antiviral No
Prediction 0.883974
OSADHI

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