Chemoinformaics analysis of PRATENSIN
Molecular Weight | 299.258 | nRot | 2 |
Heavy Atom Molecular Weight | 288.17 | nRig | 18 |
Exact Molecular Weight | 299.056 | nRing | 3 |
Solubility: LogS | -3.574 | nHRing | 1 |
Solubility: LogP | 2.435 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 33 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 22 | No. of Aromatic Carbocycles | 2 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 11 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 16 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 16 |
No. of Oxygen atom | 6 | No. of Arom Bond | 17 |
nHA | 6 | APOL | 38.8667 |
nHD | 2 | BPOL | 16.2433 |
QED | 0.672 |
Synth | 2.39 |
Natural Product Likeliness | 1.372 |
NR-PPAR-gamma | 0.886 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.004 |
Pgp-sub | 0.959 |
HIA | 0.01 |
CACO-2 | -4.851 |
MDCK | 0.00000839 |
BBB | 0.013 |
PPB | 0.966957 |
VDSS | 0.556 |
FU | 0.0419802 |
CYP1A2-inh | 0.972 |
CYP1A2-sub | 0.825 |
CYP2c19-inh | 0.473 |
CYP2c19-sub | 0.052 |
CYP2c9-inh | 0.723 |
CYP2c9-sub | 0.91 |
CYP2d6-inh | 0.821 |
CYP2d6-sub | 0.811 |
CYP3a4-inh | 0.699 |
CYP3a4-sub | 0.113 |
CL | 7.753 |
T12 | 0.881 |
hERG | 0.04 |
Ames | 0.203 |
ROA | 0.225 |
SkinSen | 0.919 |
Carcinogencity | 0.123 |
EI | 0.939 |
Respiratory | 0.196 |
NR-Aromatase | 0.704 |
Antiviral | Yes |
Prediction | 0.768555 |