Chemoinformaics analysis of CALCIUM-OXALATE
Molecular Weight | 128.096 | nRot | 0 |
Heavy Atom Molecular Weight | 128.096 | nRig | 2 |
Exact Molecular Weight | 127.942 | nRing | 0 |
Solubility: LogS | -0.22 | nHRing | 0 |
Solubility: LogP | -2.797 | No. of Aliphatic Rings | 0 |
Acid Count | 2 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 7 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 7 | No. of Aromatic Carbocycles | 0 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 0 | 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 | 4 | No. of Arom Bond | 0 |
nHA | 4 | APOL | 29.348 |
nHD | 0 | BPOL | 3.472 |
QED | 0.287 |
Synth | 4.214 |
Natural Product Likeliness | -0.248 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0 |
HIA | 0.006 |
CACO-2 | -4.738 |
MDCK | 0.000104296 |
BBB | 0.319 |
PPB | 0.158081 |
VDSS | 0.184 |
FU | 0.701922 |
CYP1A2-inh | 0.015 |
CYP1A2-sub | 0.045 |
CYP2c19-inh | 0.016 |
CYP2c19-sub | 0.057 |
CYP2c9-inh | 0.008 |
CYP2c9-sub | 0.706 |
CYP2d6-inh | 0.002 |
CYP2d6-sub | 0.091 |
CYP3a4-inh | 0.005 |
CYP3a4-sub | 0.042 |
CL | 1.936 |
T12 | 0.845 |
hERG | 0.008 |
Ames | 0.085 |
ROA | 0.067 |
SkinSen | 0.823 |
Carcinogencity | 0.023 |
EI | 0.988 |
Respiratory | 0.043 |
NR-Aromatase | 0.004 |
Antiviral | Yes |
Prediction | 0.618876 |