Chemoinformaics analysis of 7-Methoxy-6-methyl-9H-carbazol-3-ol
Molecular Weight | 227.263 | nRot | 1 |
Heavy Atom Molecular Weight | 214.159 | nRig | 15 |
Exact Molecular Weight | 227.095 | nRing | 3 |
Solubility: LogS | -4.914 | nHRing | 1 |
Solubility: LogP | 6.757 | No. of Aliphatic Rings | 0 |
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 | 0 |
No. of Heavy Atom | 17 | No. of Aromatic Carbocycles | 2 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 13 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 14 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 13 |
No. of Oxygen atom | 2 | No. of Arom Bond | 15 |
nHA | 2 | APOL | 34.7523 |
nHD | 2 | BPOL | 15.3477 |
QED | 0.07 |
Synth | 4.875 |
Natural Product Likeliness | 1.147 |
NR-PPAR-gamma | 0.972 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.08 |
Pgp-sub | 0.186 |
HIA | 0.236 |
CACO-2 | -5.328 |
MDCK | 0.0000144 |
BBB | 0.007 |
PPB | 0.960577 |
VDSS | 1.009 |
FU | 0.0290972 |
CYP1A2-inh | 0.007 |
CYP1A2-sub | 0.681 |
CYP2c19-inh | 0.031 |
CYP2c19-sub | 0.062 |
CYP2c9-inh | 0.04 |
CYP2c9-sub | 0.878 |
CYP2d6-inh | 0.003 |
CYP2d6-sub | 0.288 |
CYP3a4-inh | 0.07 |
CYP3a4-sub | 0.027 |
CL | 10.482 |
T12 | 0.074 |
hERG | 0.022 |
Ames | 0.051 |
ROA | 0.368 |
SkinSen | 0.964 |
Carcinogencity | 0.021 |
EI | 0.008 |
Respiratory | 0.167 |
NR-Aromatase | 0.934 |
Antiviral | Yes |
Prediction | 0.714415 |