Chemoinformaics analysis of Severin
Molecular Weight | 409.526 | nRot | 10 |
Heavy Atom Molecular Weight | 378.278 | nRig | 1 |
Exact Molecular Weight | 409.225 | nRing | 3 |
Solubility: LogS | -0.486 | nHRing | 1 |
Solubility: LogP | 0.993 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 61 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 30 | No. of Aromatic Carbocycles | 2 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 31 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 25 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 12 |
No. of Oxygen atom | 4 | No. of Arom Bond | 12 |
nHA | 4 | APOL | 66.7286 |
nHD | 2 | BPOL | 36.0094 |
QED | 0.575 |
Synth | 1.851 |
Natural Product Likeliness | 1.003 |
NR-PPAR-gamma | 0.008 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.128 |
Pgp-sub | 0.023 |
HIA | 0.008 |
CACO-2 | -4.399 |
MDCK | 0.0000257 |
BBB | 0.994 |
PPB | 0.516698 |
VDSS | 0.64 |
FU | 0.569372 |
CYP1A2-inh | 0.227 |
CYP1A2-sub | 0.802 |
CYP2c19-inh | 0.09 |
CYP2c19-sub | 0.19 |
CYP2c9-inh | 0.048 |
CYP2c9-sub | 0.76 |
CYP2d6-inh | 0.005 |
CYP2d6-sub | 0.211 |
CYP3a4-inh | 0.014 |
CYP3a4-sub | 0.114 |
CL | 7.76 |
T12 | 0.88 |
hERG | 0.042 |
Ames | 0.005 |
ROA | 0.02 |
SkinSen | 0.648 |
Carcinogencity | 0.106 |
EI | 0.981 |
Respiratory | 0.024 |
NR-Aromatase | 0.022 |
Antiviral | Yes |
Prediction | 0.688292 |