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

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Chemoinformaics analysis of  L(+)-Tyrosine


Physiochemical Properties
Molecular Weight 223.228 nRot 4
Heavy Atom Molecular Weight 210.124 nRig 8
Exact Molecular Weight 223.084 nRing 1
Solubility: LogS -1.65 nHRing 0
Solubility: LogP 0.166 No. of Aliphatic Rings 0
Acid Count 1 No. of Aromatic Rings 1
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 1
nHetero 5 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 11 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 6
No. of Oxygen atom 4 No. of Arom Bond 6
nHA 3 APOL 31.3463
nHD 3 BPOL 15.3477
Medicinal Chemistry Properties
QED 0.694
Synth 2.144
Natural Product Likeliness 0.306
NR-PPAR-gamma 0.01
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.001
Pgp-sub 0.045
HIA 0.025
CACO-2 -5.915
Distribution
MDCK 0.0000689
BBB 0.243
PPB 0.245216
VDSS 0.227
Metabolism
FU 0.718061
CYP1A2-inh 0.013
CYP1A2-sub 0.063
CYP2c19-inh 0.042
CYP2c19-sub 0.054
CYP2c9-inh 0.013
CYP2c9-sub 0.905
CYP2d6-inh 0.01
CYP2d6-sub 0.222
CYP3a4-inh 0.029
CYP3a4-sub 0.045
Excretion
CL 2.103
T12 0.844
Toxicity
hERG 0.013
Ames 0.009
ROA 0.024
SkinSen 0.139
Carcinogencity 0.091
EI 0.055
Respiratory 0.024
NR-Aromatase 0.004
Antiviral Prediction
Antiviral No
Prediction 0.686679
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