Chemoinformaics analysis of 2-(2-HYDROXY-1H-INDOL-3-YL)INDOL-3-ONE
Molecular Weight | 262.268 | nRot | 1 |
Heavy Atom Molecular Weight | 252.188 | nRig | 3 |
Exact Molecular Weight | 262.074 | nRing | 4 |
Solubility: LogS | -1.281 | nHRing | 2 |
Solubility: LogP | -2.725 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 30 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 20 | No. of Aromatic Carbocycles | 2 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 10 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 16 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 15 |
No. of Oxygen atom | 2 | No. of Arom Bond | 16 |
nHA | 3 | APOL | 37.1919 |
nHD | 2 | BPOL | 12.6101 |
QED | 0.308 |
Synth | 2.83 |
Natural Product Likeliness | 0.182 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.181 |
HIA | 0.013 |
CACO-2 | -6.561 |
MDCK | 0.00127701 |
BBB | 0.74 |
PPB | 0.0799402 |
VDSS | 0.349 |
FU | 0.796801 |
CYP1A2-inh | 0.003 |
CYP1A2-sub | 0.05 |
CYP2c19-inh | 0.048 |
CYP2c19-sub | 0.04 |
CYP2c9-inh | 0.143 |
CYP2c9-sub | 0.22 |
CYP2d6-inh | 0.02 |
CYP2d6-sub | 0.136 |
CYP3a4-inh | 0.003 |
CYP3a4-sub | 0.001 |
CL | 2.099 |
T12 | 0.501 |
hERG | 0.002 |
Ames | 0.024 |
ROA | 0.001 |
SkinSen | 0.505 |
Carcinogencity | 0.007 |
EI | 0.135 |
Respiratory | 0.006 |
NR-Aromatase | 0.002 |
Antiviral | Yes |
Prediction | 0.719143 |