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

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Chemoinformaics analysis of GLUTAMYL-TYROSINE


Physiochemical Properties
Molecular Weight 310.306 nRot 8
Heavy Atom Molecular Weight 292.162 nRig 9
Exact Molecular Weight 310.116 nRing 1
Solubility: LogS -1.393 nHRing 0
Solubility: LogP -2.09 No. of Aliphatic Rings 0
Acid Count 2 No. of Aromatic Rings 1
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 40 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 22 No. of Aromatic Carbocycles 1
nHetero 8 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 18 No. of Saturated Hetero Cycles 0
No. of Carbon atom 14 No. of Saturated Rings 0
No. of Nitrogen atom 2 No. of Arom Atom 6
No. of Oxygen atom 6 No. of Arom Bond 6
nHA 5 APOL 42.3943
nHD 5 BPOL 20.6617
Medicinal Chemistry Properties
QED 0.442
Synth 2.64
Natural Product Likeliness 0.627
NR-PPAR-gamma 0.068
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0
Pgp-sub 0.112
HIA 0.101
CACO-2 -6.333
Distribution
MDCK 0.00115917
BBB 0.129
PPB 0.25938
VDSS 0.314
Metabolism
FU 0.735092
CYP1A2-inh 0.003
CYP1A2-sub 0.014
CYP2c19-inh 0.044
CYP2c19-sub 0.037
CYP2c9-inh 0.06
CYP2c9-sub 0.699
CYP2d6-inh 0.025
CYP2d6-sub 0.162
CYP3a4-inh 0.033
CYP3a4-sub 0.007
Excretion
CL 4.16
T12 0.891
Toxicity
hERG 0.024
Ames 0.009
ROA 0.029
SkinSen 0.07
Carcinogencity 0.136
EI 0.032
Respiratory 0.036
NR-Aromatase 0.005
Antiviral Prediction
Antiviral Yes
Prediction 0.779582
OSADHI

A database of all the medicinal plants having PAN India presence.
Hosted at CSIR-North East Institute of Science and Technology, Jorhat

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