Chemoinformaics analysis of SESBANINE
Molecular Weight | 232.239 | nRot | 0 |
Heavy Atom Molecular Weight | 220.143 | nRig | 18 |
Exact Molecular Weight | 232.085 | nRing | 3 |
Solubility: LogS | -0.964 | nHRing | 2 |
Solubility: LogP | -0.443 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 29 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 17 | No. of Aromatic Carbocycles | 0 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 1 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 12 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 6 |
No. of Oxygen atom | 3 | No. of Arom Bond | 6 |
nHA | 4 | APOL | 32.6475 |
nHD | 2 | BPOL | 15.4845 |
QED | 0.623 |
Synth | 4.127 |
Natural Product Likeliness | 1.33 |
NR-PPAR-gamma | 0.359 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.002 |
Pgp-sub | 0.952 |
HIA | 0.057 |
CACO-2 | -4.757 |
MDCK | 0.00001 |
BBB | 0.971 |
PPB | 0.171519 |
VDSS | 0.936 |
FU | 0.728324 |
CYP1A2-inh | 0.021 |
CYP1A2-sub | 0.888 |
CYP2c19-inh | 0.055 |
CYP2c19-sub | 0.681 |
CYP2c9-inh | 0.02 |
CYP2c9-sub | 0.419 |
CYP2d6-inh | 0.006 |
CYP2d6-sub | 0.129 |
CYP3a4-inh | 0.087 |
CYP3a4-sub | 0.594 |
CL | 2.213 |
T12 | 0.641 |
hERG | 0.051 |
Ames | 0.143 |
ROA | 0.187 |
SkinSen | 0.097 |
Carcinogencity | 0.16 |
EI | 0.009 |
Respiratory | 0.059 |
NR-Aromatase | 0.212 |
Antiviral | Yes |
Prediction | 0.54412 |