Chemoinformaics analysis of STEPHASUNOLINE
Molecular Weight | 377.437 | nRot | 3 |
Heavy Atom Molecular Weight | 350.221 | nRig | 22 |
Exact Molecular Weight | 377.184 | nRing | 5 |
Solubility: LogS | -1.949 | nHRing | 2 |
Solubility: LogP | 1.148 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 54 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 27 | No. of Aromatic Carbocycles | 1 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 2 | No. Saturated Carbocycles | 1 |
No. of Hydrogen atom | 27 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 20 | No. of Saturated Rings | 3 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 6 | No. of Arom Bond | 6 |
nHA | 7 | APOL | 57.3154 |
nHD | 2 | BPOL | 35.7406 |
QED | 0.812 |
Synth | 6.011 |
Natural Product Likeliness | 2.712 |
NR-PPAR-gamma | 0.006 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.003 |
Pgp-sub | 0.915 |
HIA | 0.041 |
CACO-2 | -5.061 |
MDCK | 0.0000176 |
BBB | 0.984 |
PPB | 0.282444 |
VDSS | 1.887 |
FU | 0.549704 |
CYP1A2-inh | 0.012 |
CYP1A2-sub | 0.959 |
CYP2c19-inh | 0.017 |
CYP2c19-sub | 0.958 |
CYP2c9-inh | 0.011 |
CYP2c9-sub | 0.262 |
CYP2d6-inh | 0.004 |
CYP2d6-sub | 0.74 |
CYP3a4-inh | 0.03 |
CYP3a4-sub | 0.947 |
CL | 7.559 |
T12 | 0.135 |
hERG | 0.231 |
Ames | 0.511 |
ROA | 0.899 |
SkinSen | 0.154 |
Carcinogencity | 0.431 |
EI | 0.008 |
Respiratory | 0.959 |
NR-Aromatase | 0.869 |
Antiviral | No |
Prediction | 0.553544 |