Chemoinformaics analysis of Cysteine
Molecular Weight | 121.161 | nRot | 2 |
Heavy Atom Molecular Weight | 114.105 | nRig | 1 |
Exact Molecular Weight | 121.02 | nRing | 0 |
Solubility: LogS | 0.331 | nHRing | 0 |
Solubility: LogP | -2.309 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 14 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 7 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | 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 | 3 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
nHA | 3 | APOL | 15.2816 |
nHD | 3 | BPOL | 9.78045 |
QED | 0.424 |
Synth | 2.979 |
Natural Product Likeliness | 1.136 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.005 |
HIA | 0.016 |
CACO-2 | -6.03 |
MDCK | 0.00348576 |
BBB | 0.135 |
PPB | 0.159589 |
VDSS | 0.461 |
FU | 0.844851 |
CYP1A2-inh | 0.01 |
CYP1A2-sub | 0.04 |
CYP2c19-inh | 0.035 |
CYP2c19-sub | 0.055 |
CYP2c9-inh | 0.021 |
CYP2c9-sub | 0.254 |
CYP2d6-inh | 0.019 |
CYP2d6-sub | 0.221 |
CYP3a4-inh | 0.011 |
CYP3a4-sub | 0.025 |
CL | 9.818 |
T12 | 0.663 |
hERG | 0.011 |
Ames | 0.951 |
ROA | 0.314 |
SkinSen | 0.426 |
Carcinogencity | 0.147 |
EI | 0.081 |
Respiratory | 0.429 |
NR-Aromatase | 0.003 |
Antiviral | No |
Prediction | 0.983917 |