Chemoinformaics analysis of Foetisulfide D
Molecular Weight | 238.468 | nRot | 7 |
Heavy Atom Molecular Weight | 224.356 | nRig | 2 |
Exact Molecular Weight | 237.998 | nRing | 0 |
Solubility: LogS | -4.57 | nHRing | 0 |
Solubility: LogP | 3.099 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 26 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 12 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 14 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 8 | 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 | 4 | APOL | 34.2951 |
nHD | 0 | BPOL | 21.4249 |
QED | 0.483 |
Synth | 4.609 |
Natural Product Likeliness | 1.351 |
NR-PPAR-gamma | 0.693 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.009 |
Pgp-sub | 0.002 |
HIA | 0.018 |
CACO-2 | -4.682 |
MDCK | 0.0000173 |
BBB | 0.067 |
PPB | 0.975563 |
VDSS | 1.774 |
FU | 0.0157759 |
CYP1A2-inh | 0.99 |
CYP1A2-sub | 0.764 |
CYP2c19-inh | 0.943 |
CYP2c19-sub | 0.713 |
CYP2c9-inh | 0.724 |
CYP2c9-sub | 0.804 |
CYP2d6-inh | 0.911 |
CYP2d6-sub | 0.907 |
CYP3a4-inh | 0.692 |
CYP3a4-sub | 0.297 |
CL | 10.594 |
T12 | 0.693 |
hERG | 0.003 |
Ames | 0.013 |
ROA | 0.141 |
SkinSen | 0.967 |
Carcinogencity | 0.2 |
EI | 0.994 |
Respiratory | 0.773 |
NR-Aromatase | 0.669 |
Antiviral | No |
Prediction | 0.936152 |