Chemoinformaics analysis of  N-Alpha-Acetyl-L-Arginine


Molecular Weight 216.241 nRot 6
Heavy Atom Molecular Weight 200.113 nRig 3
Exact Molecular Weight 216.122 nRing 0
Solubility: LogS -0.962 nHRing 0
Solubility: LogP -2.085 No. of Aliphatic Rings 0
Acid Count 1 No. of Aromatic Rings 0
Base Count 3 No. of Aliphatic Carbocycles Rings 0
Atoms Count 31 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 15 No. of Aromatic Carbocycles 0
nHetero 7 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 16 No. of Saturated Hetero Cycles 0
No. of Carbon atom 8 No. of Saturated Rings 0
No. of Nitrogen atom 4 No. of Arom Atom 0
No. of Oxygen atom 3 No. of Arom Bond 0
nHA 3 APOL 30.8347
nHD 4 BPOL 18.3573
QED 0.247
Synth 2.597
Natural Product Likeliness 0.956
NR-PPAR-gamma 0.003
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0.005
Pgp-sub 0.984
HIA 0.013
CACO-2 -6.253
MDCK 0.00179795
BBB 0.803
PPB 0.0763533
VDSS 0.45
FU 0.87787
CYP1A2-inh 0.003
CYP1A2-sub 0.047
CYP2c19-inh 0.017
CYP2c19-sub 0.047
CYP2c9-inh 0.005
CYP2c9-sub 0.026
CYP2d6-inh 0.009
CYP2d6-sub 0.18
CYP3a4-inh 0.004
CYP3a4-sub 0.011
CL 2.452
T12 0.292
hERG 0.083
Ames 0.009
ROA 0.019
SkinSen 0.275
Carcinogencity 0.074
EI 0.031
Respiratory 0.039
NR-Aromatase 0.002
Antiviral No
Prediction 0.873644