Chemoinformaics analysis of Teniposide
Molecular Weight | 656.662 | nRot | 6 |
Heavy Atom Molecular Weight | 624.406 | nRig | 42 |
Exact Molecular Weight | 656.156 | nRing | 8 |
Solubility: LogS | -4.014 | nHRing | 5 |
Solubility: LogP | 2.421 | No. of Aliphatic Rings | 5 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 78 | No. of Aliphatic Hetero Cycles | 4 |
No. of Heavy Atom | 46 | No. of Aromatic Carbocycles | 2 |
nHetero | 14 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 32 | No. of Saturated Hetero Cycles | 3 |
No. of Carbon atom | 32 | No. of Saturated Rings | 3 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 17 |
No. of Oxygen atom | 13 | No. of Arom Bond | 17 |
nHA | 14 | APOL | 88.1034 |
nHD | 3 | BPOL | 51.0546 |
QED | 0.333 |
Synth | 5.002 |
Natural Product Likeliness | 1.362 |
NR-PPAR-gamma | 0.709 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.046 |
Pgp-sub | 0.985 |
HIA | 0.006 |
CACO-2 | -5.694 |
MDCK | 0.0000473 |
BBB | 0.009 |
PPB | 0.973249 |
VDSS | 0.44 |
FU | 0.0121011 |
CYP1A2-inh | 0.026 |
CYP1A2-sub | 0.978 |
CYP2c19-inh | 0.329 |
CYP2c19-sub | 0.824 |
CYP2c9-inh | 0.47 |
CYP2c9-sub | 0.088 |
CYP2d6-inh | 0.365 |
CYP2d6-sub | 0.24 |
CYP3a4-inh | 0.876 |
CYP3a4-sub | 0.905 |
CL | 1.896 |
T12 | 0.094 |
hERG | 0.092 |
Ames | 0.947 |
ROA | 0.088 |
SkinSen | 0.299 |
Carcinogencity | 0.091 |
EI | 0.025 |
Respiratory | 0.865 |
NR-Aromatase | 0.666 |
Antiviral | Yes |
Prediction | 0.921865 |