Chemoinformaics analysis of FALCARINONE
Molecular Weight | 154.297 | nRot | 7 |
Heavy Atom Molecular Weight | 132.121 | nRig | 1 |
Exact Molecular Weight | 154.172 | nRing | 0 |
Solubility: LogS | -5.417 | nHRing | 0 |
Solubility: LogP | 5.589 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 33 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 0 |
nHetero | 0 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 22 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 11 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 0 | No. of Arom Bond | 0 |
nHA | 0 | APOL | 33.0394 |
nHD | 0 | BPOL | 22.0706 |
QED | 0.378 |
Synth | 2.012 |
Natural Product Likeliness | 1.614 |
NR-PPAR-gamma | 0.035 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.032 |
HIA | 0.003 |
CACO-2 | -4.3 |
MDCK | 0.0000138 |
BBB | 0.523 |
PPB | 0.972142 |
VDSS | 3.903 |
FU | 0.0266944 |
CYP1A2-inh | 0.969 |
CYP1A2-sub | 0.352 |
CYP2c19-inh | 0.59 |
CYP2c19-sub | 0.324 |
CYP2c9-inh | 0.424 |
CYP2c9-sub | 0.93 |
CYP2d6-inh | 0.072 |
CYP2d6-sub | 0.319 |
CYP3a4-inh | 0.223 |
CYP3a4-sub | 0.098 |
CL | 7.341 |
T12 | 0.265 |
hERG | 0.054 |
Ames | 0.006 |
ROA | 0.037 |
SkinSen | 0.933 |
Carcinogencity | 0.097 |
EI | 0.98 |
Respiratory | 0.082 |
NR-Aromatase | 0.012 |
Antiviral | No |
Prediction | 0.7965 |