MolName : N-[(Z)-1-[5-(4-fluorophenyl)furan-2-yl]-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]benzamide |
MolecularFormula : C24H21N2O4F |
Smiles : O=C(/C(/NC(c1ccccc1)=O)=C/c1ccc(-c(cc2)ccc2F)o1)N1CCOCC1 |
InChI : InChI=1S/C24H21FN2O4/c25-19-8-6-17(7-9-19)22-11-10-20(31-22)16-21(24(29)27-12-14-30-15-13-27)26-23(28)18-4-2-1-3-5-18/h1-11,16H,12-15H2,(H,26,28) |
InChIK : HLAJQCQLJLESQU-UHFFFAOYSA-N |
TotalMolweight : 420.439 |
Molweight : 420.439 |
MonoisotopicMass : 420.148536 |
CLogP : 3.9903 |
CLogS : -4.845 |
H Acceptors : 6 |
H Donors : 1 |
TotalSurfaceArea : 322.33 |
Relative PSA : 0.20228 |
PolarSurfaceArea : 71.78 |
Druglikeness : 4.2854 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.51613 |
Fragments : 1 |
Non HAtoms : 31 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
Rotatable Bond : 5 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 3 |
Aromatic Atoms : 17 |
Sp3Atoms : 5 |
Symmetricatoms : 6 |
Amides : 2 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |