(E)-2-(1H-benzimidazol-2-yl)-1-morpholin-4-yl-3-naphthalen-1-ylprop-2-en-1-one
Molecular Formula : C24H21N3O2 | Mutagenic : none | Tumorigenic : high | Reproductive Effective : none |(E)-2-(1H-benzimidazol-2-yl)-1-morpholin-4-yl-3-naphthalen-1-ylprop-2-en-1-one is a drug-like molecule.
MolName : (E)-2-(1H-benzimidazol-2-yl)-1-morpholin-4-yl-3-naphthalen-1-ylprop-2-en-1-one |
MolecularFormula : C24H21N3O2 |
Smiles : O=C(/C(/c1nc(cccc2)c2[nH]1)=C/c1cccc2ccccc12)N1CCOCC1 |
InChI : InChI=1S/C24H21N3O2/c28-24(27-12-14-29-15-13-27)20(23-25-21-10-3-4-11-22(21)26-23)16-18-8-5-7-17-6-1-2-9-19(17)18/h1-11,16H,12-15H2,(H,25,26) |
InChIK : PRDKGRSEHZJXMP-UHFFFAOYSA-N |
TotalMolweight : 383.45 |
Molweight : 383.45 |
MonoisotopicMass : 383.163377 |
CLogP : 3.6834 |
CLogS : -3.754 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 294.85 |
Relative PSA : 0.17483 |
PolarSurfaceArea : 58.22 |
Druglikeness : 4.1622 |
Mutagenic : none |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.41379 |
Fragments : 1 |
Non HAtoms : 29 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 3 |
Rings Closures : 5 |
Small Rings : 5 |
Aromatic Rings : 4 |
Aromatic Atoms : 19 |
Sp3Atoms : 5 |
Symmetricatoms : 2 |
Amides : 1 |
Aromatic Nitrogens : 2 |
BasicNitrogens : 1 |
StereoCon : |