Chemoinformaics analysis of Vincamajine
Molecular Weight | 366.461 | nRot | 1 |
Heavy Atom Molecular Weight | 340.253 | nRig | 26 |
Exact Molecular Weight | 366.194 | nRing | 7 |
Solubility: LogS | -3.34 | nHRing | 5 |
Solubility: LogP | 2.346 | No. of Aliphatic Rings | 6 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 53 | No. of Aliphatic Hetero Cycles | 5 |
No. of Heavy Atom | 27 | No. of Aromatic Carbocycles | 1 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 5 | No. Saturated Carbocycles | 1 |
No. of Hydrogen atom | 26 | No. of Saturated Hetero Cycles | 4 |
No. of Carbon atom | 22 | No. of Saturated Rings | 5 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 6 |
No. of Oxygen atom | 3 | No. of Arom Bond | 6 |
nHA | 5 | APOL | 58.6826 |
nHD | 1 | BPOL | 32.1074 |
QED | 0.606 |
Synth | 6.619 |
Natural Product Likeliness | 2.284 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.967 |
Pgp-sub | 0.948 |
HIA | 0.353 |
CACO-2 | -4.836 |
MDCK | 0.0000568 |
BBB | 0.913 |
PPB | 0.682546 |
VDSS | 2.948 |
FU | 0.33682 |
CYP1A2-inh | 0.047 |
CYP1A2-sub | 0.25 |
CYP2c19-inh | 0.098 |
CYP2c19-sub | 0.945 |
CYP2c9-inh | 0.076 |
CYP2c9-sub | 0.291 |
CYP2d6-inh | 0.589 |
CYP2d6-sub | 0.883 |
CYP3a4-inh | 0.461 |
CYP3a4-sub | 0.837 |
CL | 10.596 |
T12 | 0.07 |
hERG | 0.003 |
Ames | 0.026 |
ROA | 0.985 |
SkinSen | 0.096 |
Carcinogencity | 0.923 |
EI | 0.011 |
Respiratory | 0.976 |
NR-Aromatase | 0.007 |
Antiviral | No |
Prediction | 0.596289 |