Chemoinformaics analysis of 2,5-Dihydroxy-4-methoxy-9H-fluoren-9-one
Molecular Weight | 242.23 | nRot | 1 |
Heavy Atom Molecular Weight | 232.15 | nRig | 16 |
Exact Molecular Weight | 242.058 | nRing | 3 |
Solubility: LogS | -4.508 | nHRing | 0 |
Solubility: LogP | 2.804 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 28 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 18 | No. of Aromatic Carbocycles | 2 |
nHetero | 4 | 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 | 14 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 4 | No. of Arom Bond | 12 |
nHA | 4 | APOL | 33.2559 |
nHD | 2 | BPOL | 12.6361 |
QED | 0.687 |
Synth | 2.248 |
Natural Product Likeliness | 1.565 |
NR-PPAR-gamma | 0.877 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.005 |
Pgp-sub | 0.004 |
HIA | 0.009 |
CACO-2 | -4.811 |
MDCK | 0.0000151 |
BBB | 0.11 |
PPB | 0.963517 |
VDSS | 0.637 |
FU | 0.0256191 |
CYP1A2-inh | 0.892 |
CYP1A2-sub | 0.79 |
CYP2c19-inh | 0.169 |
CYP2c19-sub | 0.065 |
CYP2c9-inh | 0.413 |
CYP2c9-sub | 0.835 |
CYP2d6-inh | 0.589 |
CYP2d6-sub | 0.568 |
CYP3a4-inh | 0.762 |
CYP3a4-sub | 0.179 |
CL | 9.152 |
T12 | 0.502 |
hERG | 0.034 |
Ames | 0.875 |
ROA | 0.237 |
SkinSen | 0.105 |
Carcinogencity | 0.371 |
EI | 0.959 |
Respiratory | 0.174 |
NR-Aromatase | 0.529 |
Antiviral | Yes |
Prediction | 0.718282 |