Chemoinformaics analysis of Fluorene-9-14C
Molecular Weight | 168.215 | nRot | 0 |
Heavy Atom Molecular Weight | 158.135 | nRig | 15 |
Exact Molecular Weight | 168.081 | nRing | 3 |
Solubility: LogS | -4.996 | nHRing | 0 |
Solubility: LogP | 4.04 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 23 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 13 | No. of Aromatic Carbocycles | 2 |
nHetero | 0 | 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 | 0 | No. of Arom Bond | 12 |
nHA | 0 | APOL | 28.3779 |
nHD | 0 | BPOL | 10.0321 |
QED | 0.483 |
Synth | 3.331 |
Natural Product Likeliness | -0.101 |
NR-PPAR-gamma | 0.608 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.022 |
Pgp-sub | 0.026 |
HIA | 0.003 |
CACO-2 | -4.458 |
MDCK | 0.0000292 |
BBB | 0.713 |
PPB | 0.968787 |
VDSS | 1.177 |
FU | 0.0241944 |
CYP1A2-inh | 0.887 |
CYP1A2-sub | 0.56 |
CYP2c19-inh | 0.782 |
CYP2c19-sub | 0.09 |
CYP2c9-inh | 0.492 |
CYP2c9-sub | 0.684 |
CYP2d6-inh | 0.099 |
CYP2d6-sub | 0.878 |
CYP3a4-inh | 0.166 |
CYP3a4-sub | 0.44 |
CL | 9.716 |
T12 | 0.176 |
hERG | 0.045 |
Ames | 0.721 |
ROA | 0.052 |
SkinSen | 0.169 |
Carcinogencity | 0.768 |
EI | 0.988 |
Respiratory | 0.037 |
NR-Aromatase | 0.034 |
Antiviral | No |
Prediction | 0.636082 |