Chemoinformaics analysis of RIBONUCLEASE
Molecular Weight | 1384.61 | nRot | 47 |
Heavy Atom Molecular Weight | 1278.77 | nRig | 21 |
Exact Molecular Weight | 1383.79 | nRing | 1 |
Solubility: LogS | -1.995 | nHRing | 1 |
Solubility: LogP | -5.143 | No. of Aliphatic Rings | 1 |
Acid Count | 2 | No. of Aromatic Rings | 0 |
Base Count | 9 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 202 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 97 | No. of Aromatic Carbocycles | 0 |
nHetero | 39 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 105 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 58 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 21 | No. of Arom Atom | 0 |
No. of Oxygen atom | 18 | No. of Arom Bond | 0 |
nHA | 21 | APOL | 204.409 |
nHD | 22 | BPOL | 122.619 |
QED | 0.015 |
Synth | 6.422 |
Natural Product Likeliness | 0.279 |
NR-PPAR-gamma | 0.019 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.917 |
HIA | 1 |
CACO-2 | -8.033 |
MDCK | 0.000340513 |
BBB | 0.036 |
PPB | 0.114061 |
VDSS | 0.33 |
FU | 0.662535 |
CYP1A2-inh | 0 |
CYP1A2-sub | 0 |
CYP2c19-inh | 0.001 |
CYP2c19-sub | 0.008 |
CYP2c9-inh | 0.019 |
CYP2c9-sub | 0.001 |
CYP2d6-inh | 0 |
CYP2d6-sub | 0.018 |
CYP3a4-inh | 0 |
CYP3a4-sub | 0 |
CL | -0.09 |
T12 | 0.599 |
hERG | 0.002 |
Ames | 0.001 |
ROA | 0.266 |
SkinSen | 0.017 |
Carcinogencity | 0.005 |
EI | 0.002 |
Respiratory | 0.007 |
NR-Aromatase | 0 |
Antiviral | Yes |
Prediction | 0.774702 |