Chemoinformaics analysis of RENIFOLIN
Molecular Weight | 352.383 | nRot | 3 |
Heavy Atom Molecular Weight | 328.191 | nRig | 17 |
Exact Molecular Weight | 352.152 | nRing | 3 |
Solubility: LogS | -2.471 | nHRing | 1 |
Solubility: LogP | 1.042 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 49 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 25 | No. of Aromatic Carbocycles | 1 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 24 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 18 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
No. of Oxygen atom | 7 | No. of Arom Bond | 6 |
nHA | 7 | APOL | 51.677 |
nHD | 5 | BPOL | 27.549 |
QED | 0.483 |
Synth | 4.254 |
Natural Product Likeliness | 2.398 |
NR-PPAR-gamma | 0.48 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.586 |
HIA | 0.632 |
CACO-2 | -5.528 |
MDCK | 0.0000259 |
BBB | 0.47 |
PPB | 0.816854 |
VDSS | 1.033 |
FU | 0.177366 |
CYP1A2-inh | 0.023 |
CYP1A2-sub | 0.071 |
CYP2c19-inh | 0.008 |
CYP2c19-sub | 0.432 |
CYP2c9-inh | 0.001 |
CYP2c9-sub | 0.51 |
CYP2d6-inh | 0.008 |
CYP2d6-sub | 0.237 |
CYP3a4-inh | 0.009 |
CYP3a4-sub | 0.075 |
CL | 5.383 |
T12 | 0.613 |
hERG | 0.014 |
Ames | 0.533 |
ROA | 0.202 |
SkinSen | 0.074 |
Carcinogencity | 0.412 |
EI | 0.007 |
Respiratory | 0.063 |
NR-Aromatase | 0.37 |
Antiviral | No |
Prediction | 0.552245 |