Chemoinformaics analysis of 5-Methylhydantoin
Molecular Weight | 114.104 | nRot | 0 |
Heavy Atom Molecular Weight | 108.056 | nRig | 6 |
Exact Molecular Weight | 114.043 | nRing | 1 |
Solubility: LogS | -1.375 | nHRing | 1 |
Solubility: LogP | -0.459 | 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 | 8 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 6 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 4 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 0 |
No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 14.4848 |
nHD | 2 | BPOL | 8.89524 |
QED | 0.434 |
Synth | 3.055 |
Natural Product Likeliness | -0.595 |
NR-PPAR-gamma | 0.001 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.003 |
HIA | 0.976 |
CACO-2 | -5.136 |
MDCK | 0.0000126 |
BBB | 0.171 |
PPB | 0.134817 |
VDSS | 0.535 |
FU | 0.715683 |
CYP1A2-inh | 0.018 |
CYP1A2-sub | 0.953 |
CYP2c19-inh | 0.05 |
CYP2c19-sub | 0.052 |
CYP2c9-inh | 0.01 |
CYP2c9-sub | 0.066 |
CYP2d6-inh | 0.015 |
CYP2d6-sub | 0.044 |
CYP3a4-inh | 0.011 |
CYP3a4-sub | 0.175 |
CL | 9.268 |
T12 | 0.924 |
hERG | 0.01 |
Ames | 0.01 |
ROA | 0.047 |
SkinSen | 0.169 |
Carcinogencity | 0.564 |
EI | 0.924 |
Respiratory | 0.026 |
NR-Aromatase | 0.003 |
Antiviral | No |
Prediction | 0.954999 |