Chemoinformaics analysis of 11-HYDROXYTEPHROSIN
Molecular Weight | 426.421 | nRot | 2 |
Heavy Atom Molecular Weight | 404.245 | nRig | 27 |
Exact Molecular Weight | 426.131 | nRing | 5 |
Solubility: LogS | -3.935 | nHRing | 3 |
Solubility: LogP | 4.016 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 53 | No. of Aliphatic Hetero Cycles | 3 |
No. of Heavy Atom | 31 | No. of Aromatic Carbocycles | 2 |
nHetero | 8 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 22 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 23 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 8 | No. of Arom Bond | 12 |
nHA | 8 | APOL | 59.4954 |
nHD | 2 | BPOL | 31.6186 |
QED | 0.756 |
Synth | 3.966 |
Natural Product Likeliness | 2.694 |
NR-PPAR-gamma | 0.89 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.875 |
Pgp-sub | 0.001 |
HIA | 0.035 |
CACO-2 | -4.777 |
MDCK | 0.0000186 |
BBB | 0.029 |
PPB | 0.950695 |
VDSS | 0.758 |
FU | 0.0666205 |
CYP1A2-inh | 0.193 |
CYP1A2-sub | 0.734 |
CYP2c19-inh | 0.211 |
CYP2c19-sub | 0.823 |
CYP2c9-inh | 0.385 |
CYP2c9-sub | 0.78 |
CYP2d6-inh | 0.79 |
CYP2d6-sub | 0.665 |
CYP3a4-inh | 0.779 |
CYP3a4-sub | 0.82 |
CL | 2.8 |
T12 | 0.135 |
hERG | 0.07 |
Ames | 0.075 |
ROA | 0.622 |
SkinSen | 0.332 |
Carcinogencity | 0.83 |
EI | 0.029 |
Respiratory | 0.42 |
NR-Aromatase | 0.852 |
Antiviral | Yes |
Prediction | 0.823216 |