Chemoinformaics analysis of 1-PHENYL-2,3-DIHYDRO-1H-INDENE
Molecular Weight | 194.277 | nRot | 1 |
Heavy Atom Molecular Weight | 180.165 | nRig | 2 |
Exact Molecular Weight | 194.11 | nRing | 3 |
Solubility: LogS | -1.924 | nHRing | 0 |
Solubility: LogP | 2.221 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 29 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 15 | No. of Aromatic Carbocycles | 2 |
nHetero | 0 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 14 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 15 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 0 | No. of Arom Bond | 12 |
nHA | 0 | APOL | 34.3851 |
nHD | 0 | BPOL | 14.0449 |
QED | 0.604 |
Synth | 3.077 |
Natural Product Likeliness | 2.389 |
NR-PPAR-gamma | 0.038 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.003 |
Pgp-sub | 0 |
HIA | 0.002 |
CACO-2 | -4.306 |
MDCK | 0.0000196 |
BBB | 0.707 |
PPB | 0.606296 |
VDSS | 1.565 |
FU | 0.492551 |
CYP1A2-inh | 0.061 |
CYP1A2-sub | 0.438 |
CYP2c19-inh | 0.061 |
CYP2c19-sub | 0.755 |
CYP2c9-inh | 0.064 |
CYP2c9-sub | 0.815 |
CYP2d6-inh | 0.006 |
CYP2d6-sub | 0.591 |
CYP3a4-inh | 0.019 |
CYP3a4-sub | 0.262 |
CL | 9.197 |
T12 | 0.746 |
hERG | 0.007 |
Ames | 0.029 |
ROA | 0.029 |
SkinSen | 0.924 |
Carcinogencity | 0.81 |
EI | 0.986 |
Respiratory | 0.858 |
NR-Aromatase | 0.026 |
Antiviral | No |
Prediction | 0.578207 |