Chemoinformaics analysis of Amino Acids Like Lysin


Molecular Weight 146.19 nRot 5
Heavy Atom Molecular Weight 132.078 nRig 1
Exact Molecular Weight 146.106 nRing 0
Solubility: LogS -0.519 nHRing 0
Solubility: LogP -3.603 No. of Aliphatic Rings 0
Acid Count 1 No. of Aromatic Rings 0
Base Count 2 No. of Aliphatic Carbocycles Rings 0
Atoms Count 24 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 10 No. of Aromatic Carbocycles 0
nHetero 4 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 14 No. of Saturated Hetero Cycles 0
No. of Carbon atom 6 No. of Saturated Rings 0
No. of Nitrogen atom 2 No. of Arom Atom 0
No. of Oxygen atom 2 No. of Arom Bond 0
nHA 3 APOL 23.1591
nHD 3 BPOL 13.7729
QED 0.457
Synth 2.474
Natural Product Likeliness 1.454
NR-PPAR-gamma 0.006
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Rejected
Pgp-inh 0.013
Pgp-sub 0.013
HIA 0.232
CACO-2 -6.156
MDCK 0.00568377
BBB 0.294
PPB 0.0599205
VDSS 0.703
FU 0.939453
CYP1A2-inh 0.011
CYP1A2-sub 0.045
CYP2c19-inh 0.03
CYP2c19-sub 0.058
CYP2c9-inh 0.008
CYP2c9-sub 0.118
CYP2d6-inh 0.009
CYP2d6-sub 0.288
CYP3a4-inh 0.009
CYP3a4-sub 0.036
CL 6.617
T12 0.499
hERG 0.039
Ames 0.262
ROA 0.185
SkinSen 0.527
Carcinogencity 0.09
EI 0.088
Respiratory 0.377
NR-Aromatase 0.007
Antiviral No
Prediction 0.967691