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

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Chemoinformaics analysis of AMYLOPECTIN


Physiochemical Properties
Molecular Weight 828.72 nRot 13
Heavy Atom Molecular Weight 776.304 nRig 30
Exact Molecular Weight 828.275 nRing 5
Solubility: LogS 1.142 nHRing 5
Solubility: LogP -5.811 No. of Aliphatic Rings 5
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 108 No. of Aliphatic Hetero Cycles 5
No. of Heavy Atom 56 No. of Aromatic Carbocycles 0
nHetero 26 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 52 No. of Saturated Hetero Cycles 5
No. of Carbon atom 30 No. of Saturated Rings 5
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 26 No. of Arom Bond 0
nHA 26 APOL 105.625
nHD 17 BPOL 67.7908
Medicinal Chemistry Properties
QED 0.082
Synth 5.557
Natural Product Likeliness 1.162
NR-PPAR-gamma 0.019
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 0.9
HIA 1
CACO-2 -6.369
Distribution
MDCK 0.0034684
BBB 0.494
PPB 0.0076344
VDSS -0.246
Metabolism
FU 0.516177
CYP1A2-inh 0
CYP1A2-sub 0.001
CYP2c19-inh 0
CYP2c19-sub 0.034
CYP2c9-inh 0
CYP2c9-sub 0.019
CYP2d6-inh 0
CYP2d6-sub 0.032
CYP3a4-inh 0.001
CYP3a4-sub 0
Excretion
CL -0.489
T12 0.414
Toxicity
hERG 0.027
Ames 0.057
ROA 0.066
SkinSen 0.001
Carcinogencity 0.004
EI 0.003
Respiratory 0
NR-Aromatase 0.055
Antiviral Prediction
Antiviral Yes
Prediction 0.708005
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A database of all the medicinal plants having PAN India presence.
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