Chemoinformaics analysis of Cyclopentane
Molecular Weight | 70.135 | nRot | 0 |
Heavy Atom Molecular Weight | 60.055 | nRig | 5 |
Exact Molecular Weight | 70.0782 | nRing | 1 |
Solubility: LogS | -2.68 | nHRing | 0 |
Solubility: LogP | 2.874 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 15 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 5 | No. of Aromatic Carbocycles | 0 |
nHetero | 0 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 1 |
No. of Hydrogen atom | 10 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 5 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 0 | No. of Arom Bond | 0 |
nHA | 0 | APOL | 15.0179 |
nHD | 0 | BPOL | 10.0321 |
QED | 0.408 |
Synth | 1 |
Natural Product Likeliness | -0.047 |
NR-PPAR-gamma | 0.014 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.003 |
HIA | 0.003 |
CACO-2 | -4.372 |
MDCK | 0.0000239 |
BBB | 0.997 |
PPB | 0.797252 |
VDSS | 1.393 |
FU | 0.306555 |
CYP1A2-inh | 0.948 |
CYP1A2-sub | 0.686 |
CYP2c19-inh | 0.36 |
CYP2c19-sub | 0.451 |
CYP2c9-inh | 0.153 |
CYP2c9-sub | 0.877 |
CYP2d6-inh | 0.018 |
CYP2d6-sub | 0.364 |
CYP3a4-inh | 0.02 |
CYP3a4-sub | 0.125 |
CL | 6.497 |
T12 | 0.469 |
hERG | 0.044 |
Ames | 0.049 |
ROA | 0.278 |
SkinSen | 0.898 |
Carcinogencity | 0.378 |
EI | 0.992 |
Respiratory | 0.869 |
NR-Aromatase | 0.011 |
Antiviral | No |
Prediction | 0.943442 |