Chemoinformaics analysis of Physalin F
Molecular Weight | 526.538 | nRot | 0 |
Heavy Atom Molecular Weight | 496.298 | nRig | 42 |
Exact Molecular Weight | 526.184 | nRing | 9 |
Solubility: LogS | -4.175 | nHRing | 6 |
Solubility: LogP | 1.869 | No. of Aliphatic Rings | 9 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 3 |
Atoms Count | 68 | No. of Aliphatic Hetero Cycles | 6 |
No. of Heavy Atom | 38 | No. of Aromatic Carbocycles | 0 |
nHetero | 10 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 5 | No. Saturated Carbocycles | 2 |
No. of Hydrogen atom | 30 | No. of Saturated Hetero Cycles | 6 |
No. of Carbon atom | 28 | No. of Saturated Rings | 8 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 10 | No. of Arom Bond | 0 |
nHA | 10 | APOL | 74.7838 |
nHD | 1 | BPOL | 42.2482 |
QED | 0.274 |
Synth | 3.255 |
Natural Product Likeliness | 3.656 |
NR-PPAR-gamma | 0.974 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.996 |
Pgp-sub | 0.001 |
HIA | 0.088 |
CACO-2 | -5.278 |
MDCK | 0.0000203 |
BBB | 0.97 |
PPB | 0.303515 |
VDSS | 0.706 |
FU | 0.562489 |
CYP1A2-inh | 0.001 |
CYP1A2-sub | 0.977 |
CYP2c19-inh | 0.017 |
CYP2c19-sub | 0.802 |
CYP2c9-inh | 0.02 |
CYP2c9-sub | 0.007 |
CYP2d6-inh | 0.001 |
CYP2d6-sub | 0.134 |
CYP3a4-inh | 0.474 |
CYP3a4-sub | 0.926 |
CL | 12.66 |
T12 | 0.03 |
hERG | 0.013 |
Ames | 0.155 |
ROA | 1 |
SkinSen | 0.02 |
Carcinogencity | 0.973 |
EI | 0.012 |
Respiratory | 0.939 |
NR-Aromatase | 0.918 |
Antiviral | Yes |
Prediction | 0.789355 |