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

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Chemoinformaics analysis of GLIADIN


Physiochemical Properties
Molecular Weight 1318.42 nRot 43
Heavy Atom Molecular Weight 1230.72 nRig 28
Exact Molecular Weight 1317.64 nRing 2
Solubility: LogS -1.942 nHRing 1
Solubility: LogP -5.304 No. of Aliphatic Rings 1
Acid Count 1 No. of Aromatic Rings 1
Base Count 4 No. of Aliphatic Carbocycles Rings 0
Atoms Count 180 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 93 No. of Aromatic Carbocycles 1
nHetero 38 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 87 No. of Saturated Hetero Cycles 1
No. of Carbon atom 55 No. of Saturated Rings 1
No. of Nitrogen atom 19 No. of Arom Atom 6
No. of Oxygen atom 19 No. of Arom Bond 6
nHA 20 APOL 185.999
nHD 20 BPOL 105.727
Medicinal Chemistry Properties
QED 0.016
Synth 6.06
Natural Product Likeliness 0.108
NR-PPAR-gamma 0.011
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 0.999
HIA 0.23
CACO-2 -6.12
Distribution
MDCK 0.000357813
BBB 0.06
PPB 0.175258
VDSS 0.487
Metabolism
FU 0.55005
CYP1A2-inh 0
CYP1A2-sub 0
CYP2c19-inh 0.002
CYP2c19-sub 0.004
CYP2c9-inh 0.046
CYP2c9-sub 0.001
CYP2d6-inh 0
CYP2d6-sub 0.006
CYP3a4-inh 0
CYP3a4-sub 0
Excretion
CL 0.404
T12 0.515
Toxicity
hERG 0.006
Ames 0.01
ROA 0.035
SkinSen 0.199
Carcinogencity 0.032
EI 0.001
Respiratory 0.053
NR-Aromatase 0
Antiviral Prediction
Antiviral Yes
Prediction 0.782194
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A database of all the medicinal plants having PAN India presence.
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