Chemoinformaics analysis of Diosbulbin F
Molecular Weight | 376.405 | nRot | 2 |
Heavy Atom Molecular Weight | 352.213 | nRig | 21 |
Exact Molecular Weight | 376.152 | nRing | 4 |
Solubility: LogS | -3.089 | nHRing | 2 |
Solubility: LogP | 0.649 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 51 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 27 | No. of Aromatic Carbocycles | 0 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 2 |
No. of Hydrogen atom | 24 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 20 | No. of Saturated Rings | 3 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 5 |
No. of Oxygen atom | 7 | No. of Arom Bond | 5 |
nHA | 7 | APOL | 55.017 |
nHD | 1 | BPOL | 31.889 |
QED | 0.609 |
Synth | 4.95 |
Natural Product Likeliness | 2.44 |
NR-PPAR-gamma | 0.541 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.982 |
HIA | 0.292 |
CACO-2 | -5.313 |
MDCK | 0.00000393 |
BBB | 0.153 |
PPB | 0.762376 |
VDSS | 1.071 |
FU | 0.298162 |
CYP1A2-inh | 0.011 |
CYP1A2-sub | 0.359 |
CYP2c19-inh | 0.023 |
CYP2c19-sub | 0.812 |
CYP2c9-inh | 0.034 |
CYP2c9-sub | 0.506 |
CYP2d6-inh | 0.011 |
CYP2d6-sub | 0.283 |
CYP3a4-inh | 0.031 |
CYP3a4-sub | 0.228 |
CL | 5.815 |
T12 | 0.742 |
hERG | 0.081 |
Ames | 0.037 |
ROA | 0.842 |
SkinSen | 0.901 |
Carcinogencity | 0.873 |
EI | 0.011 |
Respiratory | 0.931 |
NR-Aromatase | 0.734 |
Antiviral | No |
Prediction | 0.616527 |