Chemoinformaics analysis of Tulipinolide
Molecular Weight | 290.359 | nRot | 1 |
Heavy Atom Molecular Weight | 268.183 | nRig | 17 |
Exact Molecular Weight | 290.152 | nRing | 2 |
Solubility: LogS | -3.61 | nHRing | 1 |
Solubility: LogP | 2.598 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 43 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 22 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 17 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 4 | No. of Arom Bond | 0 |
nHA | 4 | APOL | 46.2674 |
nHD | 0 | BPOL | 27.2786 |
QED | 0.423 |
Synth | 4.421 |
Natural Product Likeliness | 3.305 |
NR-PPAR-gamma | 0.039 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.025 |
Pgp-sub | 0 |
HIA | 0.931 |
CACO-2 | -4.719 |
MDCK | 0.0000396 |
BBB | 0.319 |
PPB | 0.866548 |
VDSS | 0.743 |
FU | 0.132851 |
CYP1A2-inh | 0.268 |
CYP1A2-sub | 0.058 |
CYP2c19-inh | 0.198 |
CYP2c19-sub | 0.188 |
CYP2c9-inh | 0.269 |
CYP2c9-sub | 0.128 |
CYP2d6-inh | 0.096 |
CYP2d6-sub | 0.117 |
CYP3a4-inh | 0.334 |
CYP3a4-sub | 0.212 |
CL | 4.321 |
T12 | 0.719 |
hERG | 0.005 |
Ames | 0.095 |
ROA | 0.381 |
SkinSen | 0.856 |
Carcinogencity | 0.038 |
EI | 0.101 |
Respiratory | 0.933 |
NR-Aromatase | 0.794 |
Antiviral | Yes |
Prediction | 0.734118 |