Chemoinformaics analysis of sulfinylbis- (CAS) Dimethyl sulfoxide
Molecular Weight | 78.136 | nRot | 0 |
Heavy Atom Molecular Weight | 72.088 | nRig | 0 |
Exact Molecular Weight | 78.0139 | nRing | 0 |
Solubility: LogS | 0.477 | nHRing | 0 |
Solubility: LogP | -0.53 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 10 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 4 | No. of Aromatic Carbocycles | 0 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 6 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 2 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
nHA | 1 | APOL | 11.0428 |
nHD | 0 | BPOL | 10.5772 |
QED | 0.374 |
Synth | 4.851 |
Natural Product Likeliness | 0.113 |
NR-PPAR-gamma | 0.01 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.191 |
HIA | 0.012 |
CACO-2 | -4.535 |
MDCK | 0.0000591 |
BBB | 0.491 |
PPB | 0.19289 |
VDSS | 1.092 |
FU | 0.819707 |
CYP1A2-inh | 0.206 |
CYP1A2-sub | 0.806 |
CYP2c19-inh | 0.022 |
CYP2c19-sub | 0.848 |
CYP2c9-inh | 0.006 |
CYP2c9-sub | 0.173 |
CYP2d6-inh | 0.003 |
CYP2d6-sub | 0.42 |
CYP3a4-inh | 0.005 |
CYP3a4-sub | 0.327 |
CL | 3.907 |
T12 | 0.793 |
hERG | 0.008 |
Ames | 0.898 |
ROA | 0.023 |
SkinSen | 0.745 |
Carcinogencity | 0.974 |
EI | 0.98 |
Respiratory | 0.57 |
NR-Aromatase | 0.005 |
Antiviral | No |
Prediction | 0.947667 |