Chemoinformaics analysis of cystine
Molecular Weight | 240.306 | nRot | 7 |
Heavy Atom Molecular Weight | 228.21 | nRig | 2 |
Exact Molecular Weight | 240.024 | nRing | 0 |
Solubility: LogS | -2.891 | nHRing | 0 |
Solubility: LogP | -4.563 | No. of Aliphatic Rings | 0 |
Acid Count | 2 | No. of Aromatic Rings | 0 |
Base Count | 2 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 26 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 14 | No. of Aromatic Carbocycles | 0 |
nHetero | 8 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 6 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 0 |
No. of Oxygen atom | 4 | No. of Arom Bond | 0 |
nHA | 6 | APOL | 29.2295 |
nHD | 4 | BPOL | 15.0945 |
QED | 0.336 |
Synth | 3.497 |
Natural Product Likeliness | 0.719 |
NR-PPAR-gamma | 0.115 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.065 |
HIA | 0.021 |
CACO-2 | -6.227 |
MDCK | 0.00335939 |
BBB | 0.476 |
PPB | 0.106074 |
VDSS | 0.431 |
FU | 0.758411 |
CYP1A2-inh | 0.004 |
CYP1A2-sub | 0.016 |
CYP2c19-inh | 0.053 |
CYP2c19-sub | 0.04 |
CYP2c9-inh | 0.234 |
CYP2c9-sub | 0.139 |
CYP2d6-inh | 0.033 |
CYP2d6-sub | 0.164 |
CYP3a4-inh | 0.013 |
CYP3a4-sub | 0.007 |
CL | 12.17 |
T12 | 0.724 |
hERG | 0.032 |
Ames | 0.223 |
ROA | 0.084 |
SkinSen | 0.369 |
Carcinogencity | 0.134 |
EI | 0.073 |
Respiratory | 0.366 |
NR-Aromatase | 0.018 |
Antiviral | No |
Prediction | 0.890568 |