Chemoinformaics analysis of SERRATANIDINE
Molecular Weight | 295.379 | nRot | 0 |
Heavy Atom Molecular Weight | 270.179 | nRig | 20 |
Exact Molecular Weight | 295.178 | nRing | 4 |
Solubility: LogS | -1.345 | nHRing | 2 |
Solubility: LogP | -0.281 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 46 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 0 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 2 |
No. of Hydrogen atom | 25 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 16 | No. of Saturated Rings | 4 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 4 | No. of Arom Bond | 0 |
nHA | 5 | APOL | 47.6978 |
nHD | 3 | BPOL | 27.6582 |
QED | 0.589 |
Synth | 5.555 |
Natural Product Likeliness | 2.738 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.002 |
Pgp-sub | 0.064 |
HIA | 0.829 |
CACO-2 | -4.982 |
MDCK | 0.00000649 |
BBB | 0.837 |
PPB | 0.156456 |
VDSS | 1.15 |
FU | 0.890184 |
CYP1A2-inh | 0.007 |
CYP1A2-sub | 0.344 |
CYP2c19-inh | 0.014 |
CYP2c19-sub | 0.911 |
CYP2c9-inh | 0.007 |
CYP2c9-sub | 0.164 |
CYP2d6-inh | 0.012 |
CYP2d6-sub | 0.241 |
CYP3a4-inh | 0.033 |
CYP3a4-sub | 0.883 |
CL | 7.242 |
T12 | 0.573 |
hERG | 0.019 |
Ames | 0.084 |
ROA | 0.505 |
SkinSen | 0.028 |
Carcinogencity | 0.069 |
EI | 0.009 |
Respiratory | 0.672 |
NR-Aromatase | 0.09 |
Antiviral | Yes |
Prediction | 0.832139 |