Chemoinformaics analysis of Cysteamine
Molecular Weight | 77.152 | nRot | 1 |
Heavy Atom Molecular Weight | 70.096 | nRig | 0 |
Exact Molecular Weight | 77.0299 | nRing | 0 |
Solubility: LogS | 0.96 | nHRing | 0 |
Solubility: LogP | -0.055 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 11 | 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 | 7 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 2 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 0 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 12.0076 |
nHD | 2 | BPOL | 8.91245 |
QED | 0.419 |
Synth | 3.274 |
Natural Product Likeliness | 0.178 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.001 |
Pgp-sub | 0.003 |
HIA | 0.939 |
CACO-2 | -5.114 |
MDCK | 0.000992033 |
BBB | 0.117 |
PPB | 0.48355 |
VDSS | 1.108 |
FU | 0.725252 |
CYP1A2-inh | 0.07 |
CYP1A2-sub | 0.261 |
CYP2c19-inh | 0.022 |
CYP2c19-sub | 0.334 |
CYP2c9-inh | 0.005 |
CYP2c9-sub | 0.587 |
CYP2d6-inh | 0.003 |
CYP2d6-sub | 0.863 |
CYP3a4-inh | 0.004 |
CYP3a4-sub | 0.181 |
CL | 8.436 |
T12 | 0.743 |
hERG | 0.01 |
Ames | 0.807 |
ROA | 0.942 |
SkinSen | 0.739 |
Carcinogencity | 0.552 |
EI | 0.458 |
Respiratory | 0.79 |
NR-Aromatase | 0.005 |
Antiviral | No |
Prediction | 0.978917 |