Chemoinformaics analysis of Cyclodecene
Molecular Weight | 138.254 | nRot | 0 |
Heavy Atom Molecular Weight | 120.11 | nRig | 10 |
Exact Molecular Weight | 138.141 | nRing | 1 |
Solubility: LogS | -4.781 | nHRing | 0 |
Solubility: LogP | 5.057 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 28 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 10 | No. of Aromatic Carbocycles | 0 |
nHetero | 0 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 18 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 10 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 0 | No. of Arom Bond | 0 |
nHA | 0 | APOL | 28.7023 |
nHD | 0 | BPOL | 18.0577 |
QED | 0.448 |
Synth | 2.393 |
Natural Product Likeliness | 0.376 |
NR-PPAR-gamma | 0.2 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.005 |
HIA | 0.004 |
CACO-2 | -4.517 |
MDCK | 0.0000175 |
BBB | 0.77 |
PPB | 0.964351 |
VDSS | 3.731 |
FU | 0.0393936 |
CYP1A2-inh | 0.966 |
CYP1A2-sub | 0.225 |
CYP2c19-inh | 0.59 |
CYP2c19-sub | 0.083 |
CYP2c9-inh | 0.364 |
CYP2c9-sub | 0.931 |
CYP2d6-inh | 0.059 |
CYP2d6-sub | 0.446 |
CYP3a4-inh | 0.144 |
CYP3a4-sub | 0.076 |
CL | 6.27 |
T12 | 0.253 |
hERG | 0.052 |
Ames | 0.019 |
ROA | 0.037 |
SkinSen | 0.957 |
Carcinogencity | 0.292 |
EI | 0.985 |
Respiratory | 0.318 |
NR-Aromatase | 0.049 |
Antiviral | No |
Prediction | 0.921347 |