Chemoinformaics analysis of Furospongin-1
Molecular Weight | 330.468 | nRot | 11 |
Heavy Atom Molecular Weight | 300.228 | nRig | 11 |
Exact Molecular Weight | 330.219 | nRing | 2 |
Solubility: LogS | -5.369 | nHRing | 2 |
Solubility: LogP | 5.691 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 54 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 24 | No. of Aromatic Carbocycles | 0 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 2 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 30 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 21 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 10 |
No. of Oxygen atom | 3 | No. of Arom Bond | 10 |
nHA | 3 | APOL | 57.4798 |
nHD | 1 | BPOL | 33.5682 |
QED | 0.549 |
Synth | 3.741 |
Natural Product Likeliness | 1.899 |
NR-PPAR-gamma | 0.542 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.525 |
Pgp-sub | 0.829 |
HIA | 0.044 |
CACO-2 | -4.513 |
MDCK | 0.0000335 |
BBB | 0.228 |
PPB | 0.968501 |
VDSS | 2.168 |
FU | 0.0209962 |
CYP1A2-inh | 0.876 |
CYP1A2-sub | 0.162 |
CYP2c19-inh | 0.854 |
CYP2c19-sub | 0.051 |
CYP2c9-inh | 0.918 |
CYP2c9-sub | 0.144 |
CYP2d6-inh | 0.533 |
CYP2d6-sub | 0.262 |
CYP3a4-inh | 0.605 |
CYP3a4-sub | 0.238 |
CL | 13.61 |
T12 | 0.36 |
hERG | 0.056 |
Ames | 0.014 |
ROA | 0.971 |
SkinSen | 0.077 |
Carcinogencity | 0.776 |
EI | 0.336 |
Respiratory | 0.953 |
NR-Aromatase | 0.009 |
Antiviral | No |
Prediction | 0.593182 |