Chemoinformaics analysis of FALCARINOLONE
Molecular Weight | 258.361 | nRot | 8 |
Heavy Atom Molecular Weight | 236.185 | nRig | 5 |
Exact Molecular Weight | 258.162 | nRing | 0 |
Solubility: LogS | -4.46 | nHRing | 0 |
Solubility: LogP | 4.548 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 41 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 19 | No. of Aromatic Carbocycles | 0 |
nHetero | 2 | 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 | 17 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 44.6634 |
nHD | 1 | BPOL | 22.9386 |
QED | 0.239 |
Synth | 3.929 |
Natural Product Likeliness | 2.728 |
NR-PPAR-gamma | 0.961 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0 |
HIA | 0.049 |
CACO-2 | -4.09 |
MDCK | 0.0000236 |
BBB | 0.014 |
PPB | 1.01243 |
VDSS | 2.121 |
FU | 0.0115519 |
CYP1A2-inh | 0.892 |
CYP1A2-sub | 0.159 |
CYP2c19-inh | 0.88 |
CYP2c19-sub | 0.51 |
CYP2c9-inh | 0.832 |
CYP2c9-sub | 0.98 |
CYP2d6-inh | 0.084 |
CYP2d6-sub | 0.146 |
CYP3a4-inh | 0.784 |
CYP3a4-sub | 0.108 |
CL | 5.705 |
T12 | 0.147 |
hERG | 0 |
Ames | 0.805 |
ROA | 0.962 |
SkinSen | 0.956 |
Carcinogencity | 0.455 |
EI | 0.989 |
Respiratory | 0.957 |
NR-Aromatase | 0.937 |
Antiviral | Yes |
Prediction | 0.829325 |