Chemoinformaics analysis of Teuscordinon
Molecular Weight | 356.374 | nRot | 1 |
Heavy Atom Molecular Weight | 336.214 | nRig | 28 |
Exact Molecular Weight | 356.126 | nRing | 5 |
Solubility: LogS | -4.373 | nHRing | 3 |
Solubility: LogP | 2.296 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 46 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 26 | No. of Aromatic Carbocycles | 0 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 1 |
No. of Hydrogen atom | 20 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 20 | No. of Saturated Rings | 3 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 5 |
No. of Oxygen atom | 6 | No. of Arom Bond | 5 |
nHA | 6 | APOL | 51.5479 |
nHD | 0 | BPOL | 27.8761 |
QED | 0.72 |
Synth | 5.594 |
Natural Product Likeliness | 3.157 |
NR-PPAR-gamma | 0.097 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.995 |
Pgp-sub | 0.003 |
HIA | 0.006 |
CACO-2 | -4.944 |
MDCK | 0.0000258 |
BBB | 0.961 |
PPB | 0.892857 |
VDSS | 1.084 |
FU | 0.136141 |
CYP1A2-inh | 0.079 |
CYP1A2-sub | 0.659 |
CYP2c19-inh | 0.942 |
CYP2c19-sub | 0.649 |
CYP2c9-inh | 0.843 |
CYP2c9-sub | 0.094 |
CYP2d6-inh | 0.113 |
CYP2d6-sub | 0.295 |
CYP3a4-inh | 0.839 |
CYP3a4-sub | 0.623 |
CL | 10.836 |
T12 | 0.643 |
hERG | 0.046 |
Ames | 0.77 |
ROA | 0.986 |
SkinSen | 0.179 |
Carcinogencity | 0.911 |
EI | 0.533 |
Respiratory | 0.948 |
NR-Aromatase | 0.752 |
Antiviral | No |
Prediction | 0.508352 |