Chemoinformaics analysis of GLYCYL-L-PROLINE
Molecular Weight | 172.184 | nRot | 2 |
Heavy Atom Molecular Weight | 160.088 | nRig | 7 |
Exact Molecular Weight | 172.085 | nRing | 1 |
Solubility: LogS | -0.417 | nHRing | 1 |
Solubility: LogP | -2.283 | No. of Aliphatic Rings | 1 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 24 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 12 | No. of Aromatic Carbocycles | 0 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 7 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 0 |
No. of Oxygen atom | 3 | No. of Arom Bond | 0 |
nHA | 3 | APOL | 24.2975 |
nHD | 2 | BPOL | 14.9145 |
QED | 0.56 |
Synth | 2.524 |
Natural Product Likeliness | -0.447 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.006 |
Pgp-sub | 0.006 |
HIA | 0.624 |
CACO-2 | -6.015 |
MDCK | 0.00240524 |
BBB | 0.524 |
PPB | 0.0924827 |
VDSS | 0.559 |
FU | 0.876051 |
CYP1A2-inh | 0.005 |
CYP1A2-sub | 0.076 |
CYP2c19-inh | 0.03 |
CYP2c19-sub | 0.054 |
CYP2c9-inh | 0.035 |
CYP2c9-sub | 0.681 |
CYP2d6-inh | 0.012 |
CYP2d6-sub | 0.156 |
CYP3a4-inh | 0.008 |
CYP3a4-sub | 0.017 |
CL | 3.534 |
T12 | 0.755 |
hERG | 0.014 |
Ames | 0.008 |
ROA | 0.01 |
SkinSen | 0.287 |
Carcinogencity | 0.019 |
EI | 0.072 |
Respiratory | 0.053 |
NR-Aromatase | 0.011 |
Antiviral | No |
Prediction | 0.933978 |