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

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Chemoinformaics analysis of TYROSINE


Physiochemical Properties
Molecular Weight 181.191 nRot 3
Heavy Atom Molecular Weight 170.103 nRig 7
Exact Molecular Weight 181.074 nRing 1
Solubility: LogS -2.178 nHRing 0
Solubility: LogP -2.191 No. of Aliphatic Rings 0
Acid Count 1 No. of Aromatic Rings 1
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 24 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 13 No. of Aromatic Carbocycles 1
nHetero 4 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 11 No. of Saturated Hetero Cycles 0
No. of Carbon atom 9 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 6
No. of Oxygen atom 3 No. of Arom Bond 6
nHA 3 APOL 25.8707
nHD 3 BPOL 11.3333
Medicinal Chemistry Properties
QED 0.628
Synth 2.149
Natural Product Likeliness 0.878
NR-PPAR-gamma 0.008
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Absorption
Pgp-inh 0
Pgp-sub 0.51
HIA 0.013
CACO-2 -5.803
Distribution
MDCK 0.00132532
BBB 0.151
PPB 0.251914
VDSS 0.424
Metabolism
FU 0.774611
CYP1A2-inh 0.028
CYP1A2-sub 0.044
CYP2c19-inh 0.054
CYP2c19-sub 0.058
CYP2c9-inh 0.012
CYP2c9-sub 0.592
CYP2d6-inh 0.026
CYP2d6-sub 0.358
CYP3a4-inh 0.054
CYP3a4-sub 0.062
Excretion
CL 18.458
T12 0.829
Toxicity
hERG 0.089
Ames 0.023
ROA 0.728
SkinSen 0.294
Carcinogencity 0.141
EI 0.098
Respiratory 0.156
NR-Aromatase 0.006
Antiviral Prediction
Antiviral No
Prediction 0.888058
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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