Chemoinformaics analysis of Styrene
Molecular Weight | 104.152 | nRot | 1 |
Heavy Atom Molecular Weight | 96.088 | nRig | 10 |
Exact Molecular Weight | 104.063 | nRing | 1 |
Solubility: LogS | -2.498 | nHRing | 0 |
Solubility: LogP | 1.914 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 16 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 8 | No. of Aromatic Carbocycles | 1 |
nHetero | 0 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 8 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 8 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
No. of Oxygen atom | 0 | No. of Arom Bond | 6 |
nHA | 0 | APOL | 18.6943 |
nHD | 0 | BPOL | 8.02566 |
QED | 0.714 |
Synth | 4.342 |
Natural Product Likeliness | 2.105 |
NR-PPAR-gamma | 0.006 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.039 |
Pgp-sub | 0.001 |
HIA | 0.009 |
CACO-2 | -4.609 |
MDCK | 0.000023 |
BBB | 0.899 |
PPB | 0.575543 |
VDSS | 0.624 |
FU | 0.428433 |
CYP1A2-inh | 0.046 |
CYP1A2-sub | 0.617 |
CYP2c19-inh | 0.08 |
CYP2c19-sub | 0.907 |
CYP2c9-inh | 0.125 |
CYP2c9-sub | 0.886 |
CYP2d6-inh | 0.003 |
CYP2d6-sub | 0.867 |
CYP3a4-inh | 0.02 |
CYP3a4-sub | 0.35 |
CL | 14.896 |
T12 | 0.594 |
hERG | 0.006 |
Ames | 0.004 |
ROA | 0.034 |
SkinSen | 0.091 |
Carcinogencity | 0.082 |
EI | 0.875 |
Respiratory | 0.044 |
NR-Aromatase | 0.007 |
Antiviral | No |
Prediction | 0.889071 |