Chemoinformaics analysis of RORIFONE
Molecular Weight | 231.361 | nRot | 9 |
Heavy Atom Molecular Weight | 210.193 | nRig | 3 |
Exact Molecular Weight | 231.129 | nRing | 0 |
Solubility: LogS | -2.024 | nHRing | 0 |
Solubility: LogP | 0.977 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 36 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 15 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 21 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 11 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
nHA | 3 | APOL | 37.9767 |
nHD | 0 | BPOL | 28.2933 |
QED | 0.573 |
Synth | 2.185 |
Natural Product Likeliness | -0.505 |
NR-PPAR-gamma | 0.038 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.027 |
Pgp-sub | 0.001 |
HIA | 0.007 |
CACO-2 | -5.127 |
MDCK | 0.0000308 |
BBB | 0.976 |
PPB | 0.656596 |
VDSS | 0.817 |
FU | 0.462331 |
CYP1A2-inh | 0.712 |
CYP1A2-sub | 0.883 |
CYP2c19-inh | 0.063 |
CYP2c19-sub | 0.123 |
CYP2c9-inh | 0.229 |
CYP2c9-sub | 0.394 |
CYP2d6-inh | 0.003 |
CYP2d6-sub | 0.049 |
CYP3a4-inh | 0.045 |
CYP3a4-sub | 0.312 |
CL | 2.907 |
T12 | 0.817 |
hERG | 0.009 |
Ames | 0.006 |
ROA | 0.132 |
SkinSen | 0.326 |
Carcinogencity | 0.349 |
EI | 0.856 |
Respiratory | 0.941 |
NR-Aromatase | 0.011 |
Antiviral | Yes |
Prediction | 0.640735 |