Chemoinformaics analysis of 2-Nitrofluorene
Molecular Weight | 211.22 | nRot | 1 |
Heavy Atom Molecular Weight | 202.148 | nRig | 16 |
Exact Molecular Weight | 211.063 | nRing | 3 |
Solubility: LogS | -5.984 | nHRing | 0 |
Solubility: LogP | 3.762 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 25 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 16 | No. of Aromatic Carbocycles | 2 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 9 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 13 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 12 |
No. of Oxygen atom | 2 | No. of Arom Bond | 12 |
nHA | 2 | APOL | 30.4151 |
nHD | 0 | BPOL | 10.1949 |
QED | 0.458 |
Synth | 1.889 |
Natural Product Likeliness | -0.959 |
NR-PPAR-gamma | 0.712 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.005 |
Pgp-sub | 0.003 |
HIA | 0.004 |
CACO-2 | -4.447 |
MDCK | 0.000245289 |
BBB | 0.737 |
PPB | 0.977875 |
VDSS | 0.64 |
FU | 0.0147636 |
CYP1A2-inh | 0.96 |
CYP1A2-sub | 0.28 |
CYP2c19-inh | 0.783 |
CYP2c19-sub | 0.091 |
CYP2c9-inh | 0.686 |
CYP2c9-sub | 0.87 |
CYP2d6-inh | 0.376 |
CYP2d6-sub | 0.859 |
CYP3a4-inh | 0.553 |
CYP3a4-sub | 0.339 |
CL | 6.75 |
T12 | 0.13 |
hERG | 0.215 |
Ames | 0.976 |
ROA | 0.062 |
SkinSen | 0.667 |
Carcinogencity | 0.857 |
EI | 0.986 |
Respiratory | 0.809 |
NR-Aromatase | 0.18 |
Antiviral | No |
Prediction | 0.696945 |