Chemoinformaics analysis of 1H-INDOL-3-OL
Molecular Weight | 133.15 | nRot | 0 |
Heavy Atom Molecular Weight | 126.094 | nRig | 10 |
Exact Molecular Weight | 133.053 | nRing | 2 |
Solubility: LogS | -1.869 | nHRing | 1 |
Solubility: LogP | 1.772 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 17 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 10 | No. of Aromatic Carbocycles | 1 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 7 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 8 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 9 |
No. of Oxygen atom | 1 | No. of Arom Bond | 10 |
nHA | 1 | APOL | 19.9296 |
nHD | 2 | BPOL | 7.59245 |
QED | 0.565 |
Synth | 2.002 |
Natural Product Likeliness | 0.339 |
NR-PPAR-gamma | 0.034 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.001 |
Pgp-sub | 0.004 |
HIA | 0.008 |
CACO-2 | -4.489 |
MDCK | 0.0000129 |
BBB | 0.43 |
PPB | 0.794998 |
VDSS | 0.904 |
FU | 0.171226 |
CYP1A2-inh | 0.937 |
CYP1A2-sub | 0.763 |
CYP2c19-inh | 0.539 |
CYP2c19-sub | 0.171 |
CYP2c9-inh | 0.165 |
CYP2c9-sub | 0.93 |
CYP2d6-inh | 0.669 |
CYP2d6-sub | 0.873 |
CYP3a4-inh | 0.089 |
CYP3a4-sub | 0.169 |
CL | 12.062 |
T12 | 0.889 |
hERG | 0.017 |
Ames | 0.244 |
ROA | 0.961 |
SkinSen | 0.902 |
Carcinogencity | 0.134 |
EI | 0.993 |
Respiratory | 0.956 |
NR-Aromatase | 0.796 |
Antiviral | No |
Prediction | 0.789361 |