Chemoinformaics analysis of cis-Hydroxyproline-d5
Molecular Weight | 131.131 | nRot | 1 |
Heavy Atom Molecular Weight | 122.059 | nRig | 6 |
Exact Molecular Weight | 131.058 | nRing | 1 |
Solubility: LogS | -0.143 | nHRing | 1 |
Solubility: LogP | -2.488 | No. of Aliphatic Rings | 1 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 18 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 9 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 9 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 5 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 3 | No. of Arom Bond | 0 |
nHA | 3 | APOL | 17.8571 |
nHD | 3 | BPOL | 10.4669 |
QED | 0.418 |
Synth | 3.31 |
Natural Product Likeliness | 1.414 |
NR-PPAR-gamma | 0.006 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.007 |
HIA | 0.232 |
CACO-2 | -6.02 |
MDCK | 0.00106598 |
BBB | 0.476 |
PPB | 0.086471 |
VDSS | 0.457 |
FU | 0.9061 |
CYP1A2-inh | 0.008 |
CYP1A2-sub | 0.054 |
CYP2c19-inh | 0.042 |
CYP2c19-sub | 0.062 |
CYP2c9-inh | 0.006 |
CYP2c9-sub | 0.311 |
CYP2d6-inh | 0.008 |
CYP2d6-sub | 0.199 |
CYP3a4-inh | 0.005 |
CYP3a4-sub | 0.02 |
CL | 5.056 |
T12 | 0.716 |
hERG | 0.015 |
Ames | 0.007 |
ROA | 0.074 |
SkinSen | 0.27 |
Carcinogencity | 0.089 |
EI | 0.181 |
Respiratory | 0.363 |
NR-Aromatase | 0.002 |
Antiviral | No |
Prediction | 0.95967 |