Chemoinformaics analysis of Rosiridol
Molecular Weight | 170.252 | nRot | 4 |
Heavy Atom Molecular Weight | 152.108 | nRig | 2 |
Exact Molecular Weight | 170.131 | nRing | 0 |
Solubility: LogS | -2.129 | nHRing | 0 |
Solubility: LogP | 1.359 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 30 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 12 | No. of Aromatic Carbocycles | 0 |
nHetero | 2 | 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 | 2 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 30.3063 |
nHD | 2 | BPOL | 18.0577 |
QED | 0.63 |
Synth | 3.595 |
Natural Product Likeliness | 2.961 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.001 |
Pgp-sub | 0.164 |
HIA | 0.253 |
CACO-2 | -4.451 |
MDCK | 0.000222602 |
BBB | 0.981 |
PPB | 0.592171 |
VDSS | 1.036 |
FU | 0.354624 |
CYP1A2-inh | 0.062 |
CYP1A2-sub | 0.159 |
CYP2c19-inh | 0.019 |
CYP2c19-sub | 0.695 |
CYP2c9-inh | 0.004 |
CYP2c9-sub | 0.462 |
CYP2d6-inh | 0.009 |
CYP2d6-sub | 0.206 |
CYP3a4-inh | 0.009 |
CYP3a4-sub | 0.212 |
CL | 7.734 |
T12 | 0.801 |
hERG | 0.016 |
Ames | 0.005 |
ROA | 0.031 |
SkinSen | 0.897 |
Carcinogencity | 0.078 |
EI | 0.961 |
Respiratory | 0.066 |
NR-Aromatase | 0.004 |
Antiviral | No |
Prediction | 0.949017 |