Chemoinformaics analysis of Conessidine
Molecular Weight | 326.528 | nRot | 1 |
Heavy Atom Molecular Weight | 292.256 | nRig | 24 |
Exact Molecular Weight | 326.272 | nRing | 5 |
Solubility: LogS | -4.518 | nHRing | 1 |
Solubility: LogP | 4.493 | No. of Aliphatic Rings | 5 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 58 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 24 | No. of Aromatic Carbocycles | 0 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 3 |
No. of Hydrogen atom | 34 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 22 | No. of Saturated Rings | 3 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 0 |
No. of Oxygen atom | 0 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 61.611 |
nHD | 1 | BPOL | 35.819 |
QED | 0.699 |
Synth | 5.362 |
Natural Product Likeliness | 2.691 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.011 |
Pgp-sub | 0 |
HIA | 0.012 |
CACO-2 | -4.783 |
MDCK | 0.00000702 |
BBB | 0.792 |
PPB | 0.735616 |
VDSS | 0.89 |
FU | 0.184097 |
CYP1A2-inh | 0.065 |
CYP1A2-sub | 0.658 |
CYP2c19-inh | 0.182 |
CYP2c19-sub | 0.94 |
CYP2c9-inh | 0.08 |
CYP2c9-sub | 0.06 |
CYP2d6-inh | 0.911 |
CYP2d6-sub | 0.896 |
CYP3a4-inh | 0.69 |
CYP3a4-sub | 0.652 |
CL | 15.078 |
T12 | 0.035 |
hERG | 0.33 |
Ames | 0.02 |
ROA | 0.494 |
SkinSen | 0.028 |
Carcinogencity | 0.335 |
EI | 0.006 |
Respiratory | 0.975 |
NR-Aromatase | 0.003 |
Antiviral | No |
Prediction | 0.68523 |