Chemoinformaics analysis of SALUTARIDINE
Molecular Weight | 327.38 | nRot | 2 |
Heavy Atom Molecular Weight | 306.212 | nRig | 21 |
Exact Molecular Weight | 327.147 | nRing | 4 |
Solubility: LogS | -3.136 | nHRing | 1 |
Solubility: LogP | 1.428 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 45 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 24 | No. of Aromatic Carbocycles | 1 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 2 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 21 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 19 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 4 | No. of Arom Bond | 6 |
nHA | 5 | APOL | 50.0407 |
nHD | 1 | BPOL | 27.1173 |
QED | 0.903 |
Synth | 4.629 |
Natural Product Likeliness | 1.442 |
NR-PPAR-gamma | 0.846 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.959 |
Pgp-sub | 0.005 |
HIA | 0.015 |
CACO-2 | -5.01 |
MDCK | 0.0000308 |
BBB | 0.24 |
PPB | 0.903636 |
VDSS | 0.915 |
FU | 0.131943 |
CYP1A2-inh | 0.028 |
CYP1A2-sub | 0.856 |
CYP2c19-inh | 0.556 |
CYP2c19-sub | 0.897 |
CYP2c9-inh | 0.393 |
CYP2c9-sub | 0.679 |
CYP2d6-inh | 0.042 |
CYP2d6-sub | 0.621 |
CYP3a4-inh | 0.647 |
CYP3a4-sub | 0.923 |
CL | 11.973 |
T12 | 0.766 |
hERG | 0.021 |
Ames | 0.052 |
ROA | 0.752 |
SkinSen | 0.322 |
Carcinogencity | 0.709 |
EI | 0.014 |
Respiratory | 0.968 |
NR-Aromatase | 0.772 |
Antiviral | Yes |
Prediction | 0.689847 |