Chemoinformaics analysis of Dl-Arginine
Molecular Weight | 174.204 | nRot | 5 |
Heavy Atom Molecular Weight | 160.092 | nRig | 2 |
Exact Molecular Weight | 174.112 | nRing | 0 |
Solubility: LogS | -1.47 | nHRing | 0 |
Solubility: LogP | -3.857 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 4 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 26 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 12 | No. of Aromatic Carbocycles | 0 |
nHetero | 6 | 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 | 4 | No. of Arom Atom | 0 |
No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
nHA | 3 | APOL | 25.3591 |
nHD | 4 | BPOL | 14.3429 |
QED | 0.2 |
Synth | 2.774 |
Natural Product Likeliness | 1.021 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.001 |
Pgp-sub | 0.676 |
HIA | 0.031 |
CACO-2 | -6.474 |
MDCK | 0.0033046 |
BBB | 0.509 |
PPB | 0.0643547 |
VDSS | 0.62 |
FU | 0.91962 |
CYP1A2-inh | 0.005 |
CYP1A2-sub | 0.03 |
CYP2c19-inh | 0.029 |
CYP2c19-sub | 0.052 |
CYP2c9-inh | 0.015 |
CYP2c9-sub | 0.055 |
CYP2d6-inh | 0.015 |
CYP2d6-sub | 0.286 |
CYP3a4-inh | 0.003 |
CYP3a4-sub | 0.01 |
CL | 7.126 |
T12 | 0.636 |
hERG | 0.075 |
Ames | 0.079 |
ROA | 0.083 |
SkinSen | 0.259 |
Carcinogencity | 0.045 |
EI | 0.028 |
Respiratory | 0.367 |
NR-Aromatase | 0.003 |
Antiviral | No |
Prediction | 0.865952 |