Chemoinformaics analysis of Swazine
Molecular Weight | 349.383 | nRot | 0 |
Heavy Atom Molecular Weight | 326.199 | nRig | 25 |
Exact Molecular Weight | 349.153 | nRing | 4 |
Solubility: LogS | -2.271 | nHRing | 4 |
Solubility: LogP | 0.885 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 48 | No. of Aliphatic Hetero Cycles | 4 |
No. of Heavy Atom | 25 | No. of Aromatic Carbocycles | 0 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 23 | No. of Saturated Hetero Cycles | 3 |
No. of Carbon atom | 18 | No. of Saturated Rings | 3 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 6 | No. of Arom Bond | 0 |
nHA | 7 | APOL | 51.3082 |
nHD | 1 | BPOL | 31.7278 |
QED | 0.289 |
Synth | 5.759 |
Natural Product Likeliness | 2.626 |
NR-PPAR-gamma | 0.299 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.003 |
Pgp-sub | 0.001 |
HIA | 0.229 |
CACO-2 | -5.236 |
MDCK | 0.0000863 |
BBB | 0.928 |
PPB | 0.648129 |
VDSS | 1.379 |
FU | 0.501349 |
CYP1A2-inh | 0.038 |
CYP1A2-sub | 0.149 |
CYP2c19-inh | 0.036 |
CYP2c19-sub | 0.507 |
CYP2c9-inh | 0.05 |
CYP2c9-sub | 0.067 |
CYP2d6-inh | 0.028 |
CYP2d6-sub | 0.271 |
CYP3a4-inh | 0.085 |
CYP3a4-sub | 0.416 |
CL | 6.684 |
T12 | 0.153 |
hERG | 0.01 |
Ames | 0.089 |
ROA | 0.97 |
SkinSen | 0.121 |
Carcinogencity | 0.971 |
EI | 0.009 |
Respiratory | 0.934 |
NR-Aromatase | 0.742 |
Antiviral | Yes |
Prediction | 0.757768 |