Chemoinformaics analysis of INDOLE-3-ACETATE
Molecular Weight | 174.179 | nRot | 2 |
Heavy Atom Molecular Weight | 166.115 | nRig | 11 |
Exact Molecular Weight | 174.056 | nRing | 2 |
Solubility: LogS | -2.107 | nHRing | 1 |
Solubility: LogP | 1.762 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 21 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 13 | No. of Aromatic Carbocycles | 1 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 8 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 10 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 9 |
No. of Oxygen atom | 2 | No. of Arom Bond | 10 |
nHA | 2 | APOL | 24.7383 |
nHD | 1 | BPOL | 10.3317 |
QED | 0.731 |
Synth | 1.729 |
Natural Product Likeliness | -0.105 |
NR-PPAR-gamma | 0.969 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.003 |
HIA | 0.01 |
CACO-2 | -4.501 |
MDCK | 0.0000146 |
BBB | 0.324 |
PPB | 0.791481 |
VDSS | 0.251 |
FU | 0.125006 |
CYP1A2-inh | 0.156 |
CYP1A2-sub | 0.156 |
CYP2c19-inh | 0.068 |
CYP2c19-sub | 0.088 |
CYP2c9-inh | 0.05 |
CYP2c9-sub | 0.967 |
CYP2d6-inh | 0.036 |
CYP2d6-sub | 0.536 |
CYP3a4-inh | 0.016 |
CYP3a4-sub | 0.119 |
CL | 7.532 |
T12 | 0.92 |
hERG | 0.022 |
Ames | 0.044 |
ROA | 0.668 |
SkinSen | 0.5 |
Carcinogencity | 0.134 |
EI | 0.921 |
Respiratory | 0.281 |
NR-Aromatase | 0.013 |
Antiviral | No |
Prediction | 0.75576 |