Chemoinformaics analysis of Tylophorine
Molecular Weight | 393.483 | nRot | 4 |
Heavy Atom Molecular Weight | 366.267 | nRig | 25 |
Exact Molecular Weight | 393.194 | nRing | 5 |
Solubility: LogS | -4.022 | nHRing | 2 |
Solubility: LogP | 3.94 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 56 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 29 | No. of Aromatic Carbocycles | 3 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 27 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 24 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 14 |
No. of Oxygen atom | 4 | No. of Arom Bond | 16 |
nHA | 5 | APOL | 62.3914 |
nHD | 0 | BPOL | 35.7406 |
QED | 0.608 |
Synth | 2.931 |
Natural Product Likeliness | 0.403 |
NR-PPAR-gamma | 0.005 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.933 |
Pgp-sub | 0.931 |
HIA | 0.003 |
CACO-2 | -5.121 |
MDCK | 0.0000343 |
BBB | 0.892 |
PPB | 0.728718 |
VDSS | 1.4 |
FU | 0.11198 |
CYP1A2-inh | 0.285 |
CYP1A2-sub | 0.987 |
CYP2c19-inh | 0.04 |
CYP2c19-sub | 0.948 |
CYP2c9-inh | 0.003 |
CYP2c9-sub | 0.786 |
CYP2d6-inh | 0.875 |
CYP2d6-sub | 0.932 |
CYP3a4-inh | 0.028 |
CYP3a4-sub | 0.918 |
CL | 10.127 |
T12 | 0.432 |
hERG | 0.511 |
Ames | 0.551 |
ROA | 0.75 |
SkinSen | 0.931 |
Carcinogencity | 0.059 |
EI | 0.013 |
Respiratory | 0.957 |
NR-Aromatase | 0.792 |
Antiviral | Yes |
Prediction | 0.716716 |