Chemoinformaics analysis of RESAZURIN
Molecular Weight | 229.191 | nRot | 0 |
Heavy Atom Molecular Weight | 222.135 | nRig | 17 |
Exact Molecular Weight | 229.038 | nRing | 3 |
Solubility: LogS | -3.258 | nHRing | 1 |
Solubility: LogP | 0.515 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 24 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 17 | No. of Aromatic Carbocycles | 1 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 7 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 12 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 14 |
No. of Oxygen atom | 4 | No. of Arom Bond | 15 |
nHA | 4 | APOL | 29.0156 |
nHD | 1 | BPOL | 11.0644 |
QED | 0.357 |
Synth | 3.082 |
Natural Product Likeliness | 0.731 |
NR-PPAR-gamma | 0.272 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.618 |
HIA | 0.008 |
CACO-2 | -4.86 |
MDCK | 0.000026 |
BBB | 0.008 |
PPB | 0.906154 |
VDSS | 0.685 |
FU | 0.151589 |
CYP1A2-inh | 0.98 |
CYP1A2-sub | 0.92 |
CYP2c19-inh | 0.054 |
CYP2c19-sub | 0.065 |
CYP2c9-inh | 0.023 |
CYP2c9-sub | 0.55 |
CYP2d6-inh | 0.01 |
CYP2d6-sub | 0.172 |
CYP3a4-inh | 0.491 |
CYP3a4-sub | 0.147 |
CL | 9.231 |
T12 | 0.746 |
hERG | 0.022 |
Ames | 0.184 |
ROA | 0.18 |
SkinSen | 0.113 |
Carcinogencity | 0.858 |
EI | 0.922 |
Respiratory | 0.589 |
NR-Aromatase | 0.823 |
Antiviral | Yes |
Prediction | 0.542225 |