N-[(Z)-1-anthracen-9-yl-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide
Molecular Formula : C28H24N2O3 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |N-[(Z)-1-anthracen-9-yl-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.
MolName : N-[(Z)-1-anthracen-9-yl-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide |
MolecularFormula : C28H24N2O3 |
Smiles : O=C(/C(/NC(c1ccccc1)=O)=C/c1c(cccc2)c2cc2ccccc12)N1CCOCC1 |
InChI : InChI=1S/C28H24N2O3/c31-27(20-8-2-1-3-9-20)29-26(28(32)30-14-16-33-17-15-30)19-25-23-12-6-4-10-21(23)18-22-11-5-7-13-24(22)25/h1-13,18-19H,14-17H2,(H,29,31) |
InChIK : GMHQBDSZCBNUQN-UHFFFAOYSA-N |
TotalMolweight : 436.51 |
Molweight : 436.51 |
MonoisotopicMass : 436.178693 |
CLogP : 5.3394 |
CLogS : -6.283 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 335.73 |
Relative PSA : 0.15218 |
PolarSurfaceArea : 58.64 |
Druglikeness : 4.8482 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : high |
Nasty Functions : |
Shape Index : 0.39394 |
Fragments : 1 |
Non HAtoms : 33 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 4 |
Rings Closures : 5 |
Small Rings : 5 |
Aromatic Rings : 4 |
Aromatic Atoms : 20 |
Sp3Atoms : 5 |
Symmetricatoms : 10 |
Amides : 2 |
StereoCon : |