Chemoinformaics analysis of 5-Hydroxypyrrolidin-2-one
Molecular Weight | 101.105 | nRot | 0 |
Heavy Atom Molecular Weight | 94.049 | nRig | 6 |
Exact Molecular Weight | 101.048 | nRing | 1 |
Solubility: LogS | 0.208 | nHRing | 1 |
Solubility: LogP | -1.158 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 14 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 7 | No. of Aromatic Carbocycles | 0 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 7 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 4 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 14.0516 |
nHD | 2 | BPOL | 8.46045 |
QED | 0.42 |
Synth | 3.553 |
Natural Product Likeliness | 1.143 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.07 |
HIA | 0.016 |
CACO-2 | -4.556 |
MDCK | 0.000428381 |
BBB | 0.947 |
PPB | 0.0786175 |
VDSS | 0.773 |
FU | 0.873555 |
CYP1A2-inh | 0.016 |
CYP1A2-sub | 0.16 |
CYP2c19-inh | 0.04 |
CYP2c19-sub | 0.277 |
CYP2c9-inh | 0.021 |
CYP2c9-sub | 0.41 |
CYP2d6-inh | 0.007 |
CYP2d6-sub | 0.158 |
CYP3a4-inh | 0.006 |
CYP3a4-sub | 0.091 |
CL | 4.794 |
T12 | 0.71 |
hERG | 0.012 |
Ames | 0.026 |
ROA | 0.019 |
SkinSen | 0.193 |
Carcinogencity | 0.019 |
EI | 0.32 |
Respiratory | 0.026 |
NR-Aromatase | 0.003 |
Antiviral | No |
Prediction | 0.979377 |