Chemoinformaics analysis of 9H-Fluoren-2-ol
Molecular Weight | 182.222 | nRot | 0 |
Heavy Atom Molecular Weight | 172.142 | nRig | 15 |
Exact Molecular Weight | 182.073 | nRing | 3 |
Solubility: LogS | -3.634 | nHRing | 0 |
Solubility: LogP | 3.483 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 24 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 14 | No. of Aromatic Carbocycles | 2 |
nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 10 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 13 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 1 | No. of Arom Bond | 12 |
nHA | 1 | APOL | 29.1799 |
nHD | 1 | BPOL | 10.0321 |
QED | 0.566 |
Synth | 1.825 |
Natural Product Likeliness | 0.386 |
NR-PPAR-gamma | 0.421 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.079 |
Pgp-sub | 0.017 |
HIA | 0.005 |
CACO-2 | -4.608 |
MDCK | 0.000025 |
BBB | 0.642 |
PPB | 0.95947 |
VDSS | 1.071 |
FU | 0.0338585 |
CYP1A2-inh | 0.916 |
CYP1A2-sub | 0.512 |
CYP2c19-inh | 0.866 |
CYP2c19-sub | 0.101 |
CYP2c9-inh | 0.512 |
CYP2c9-sub | 0.919 |
CYP2d6-inh | 0.794 |
CYP2d6-sub | 0.911 |
CYP3a4-inh | 0.535 |
CYP3a4-sub | 0.276 |
CL | 12.742 |
T12 | 0.541 |
hERG | 0.052 |
Ames | 0.786 |
ROA | 0.077 |
SkinSen | 0.688 |
Carcinogencity | 0.564 |
EI | 0.984 |
Respiratory | 0.106 |
NR-Aromatase | 0.119 |
Antiviral | No |
Prediction | 0.624717 |