Chemoinformaics analysis of Convicine
Molecular Weight | 305.243 | nRot | 3 |
Heavy Atom Molecular Weight | 290.123 | nRig | 14 |
Exact Molecular Weight | 305.086 | nRing | 2 |
Solubility: LogS | -2.441 | nHRing | 2 |
Solubility: LogP | -2.606 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 36 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 0 |
nHetero | 11 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 15 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 10 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 3 | No. of Arom Atom | 6 |
No. of Oxygen atom | 8 | No. of Arom Bond | 6 |
nHA | 9 | APOL | 36.4179 |
nHD | 7 | BPOL | 20.8261 |
QED | 0.29 |
Synth | 4.04 |
Natural Product Likeliness | 1.628 |
NR-PPAR-gamma | 0.002 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.843 |
HIA | 0.958 |
CACO-2 | -6.278 |
MDCK | 0.000504748 |
BBB | 0.7 |
PPB | 0.136873 |
VDSS | 0.305 |
FU | 0.79193 |
CYP1A2-inh | 0.01 |
CYP1A2-sub | 0.228 |
CYP2c19-inh | 0.014 |
CYP2c19-sub | 0.046 |
CYP2c9-inh | 0.001 |
CYP2c9-sub | 0.029 |
CYP2d6-inh | 0 |
CYP2d6-sub | 0.027 |
CYP3a4-inh | 0.005 |
CYP3a4-sub | 0.014 |
CL | 2.129 |
T12 | 0.842 |
hERG | 0.012 |
Ames | 0.192 |
ROA | 0.119 |
SkinSen | 0.038 |
Carcinogencity | 0.034 |
EI | 0.01 |
Respiratory | 0.025 |
NR-Aromatase | 0.002 |
Antiviral | No |
Prediction | 0.634071 |