Chemoinformaics analysis of VOACRYPTINE
Molecular Weight | 352.434 | nRot | 2 |
Heavy Atom Molecular Weight | 328.242 | nRig | 25 |
Exact Molecular Weight | 352.179 | nRing | 6 |
Solubility: LogS | -3.044 | nHRing | 4 |
Solubility: LogP | 2.394 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 50 | No. of Aliphatic Hetero Cycles | 3 |
No. of Heavy Atom | 26 | No. of Aromatic Carbocycles | 1 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 4 | No. Saturated Carbocycles | 1 |
No. of Hydrogen atom | 24 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 21 | No. of Saturated Rings | 3 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 9 |
No. of Oxygen atom | 3 | No. of Arom Bond | 10 |
nHA | 4 | APOL | 55.679 |
nHD | 1 | BPOL | 29.829 |
QED | 0.844 |
Synth | 5.058 |
Natural Product Likeliness | 1.319 |
NR-PPAR-gamma | 0.006 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.022 |
Pgp-sub | 0.063 |
HIA | 0.007 |
CACO-2 | -4.885 |
MDCK | 0.0000199 |
BBB | 0.992 |
PPB | 0.771425 |
VDSS | 2.337 |
FU | 0.207194 |
CYP1A2-inh | 0.125 |
CYP1A2-sub | 0.946 |
CYP2c19-inh | 0.483 |
CYP2c19-sub | 0.925 |
CYP2c9-inh | 0.048 |
CYP2c9-sub | 0.831 |
CYP2d6-inh | 0.919 |
CYP2d6-sub | 0.915 |
CYP3a4-inh | 0.812 |
CYP3a4-sub | 0.858 |
CL | 15.651 |
T12 | 0.475 |
hERG | 0.051 |
Ames | 0.04 |
ROA | 0.923 |
SkinSen | 0.065 |
Carcinogencity | 0.679 |
EI | 0.021 |
Respiratory | 0.934 |
NR-Aromatase | 0.012 |
Antiviral | No |
Prediction | 0.562616 |