MolName : 2-[(4Z)-4-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide |
MolecularFormula : C26H25N5O5 |
Smiles : O=C(CN(C(/C(/N1)=C/c2cn(CC(N3CCOCC3)=O)c3c2cccc3)=O)C1=O)Nc1ccccc1 |
InChI : InChI=1S/C26H25N5O5/c32-23(27-19-6-2-1-3-7-19)16-31-25(34)21(28-26(31)35)14-18-15-30(22-9-5-4-8-20(18)22)17-24(33)29-10-12-36-13-11-29/h1-9,14-15H,10-13,16-17H2,(H,27,32)(H,28,35) |
InChIK : XFEBBDDVGZWDKG-UHFFFAOYSA-N |
TotalMolweight : 487.515 |
Molweight : 487.515 |
MonoisotopicMass : 487.18557 |
CLogP : 1.2547 |
CLogS : -3.013 |
H Acceptors : 10 |
H Donors : 2 |
TotalSurfaceArea : 361.61 |
Relative PSA : 0.27391 |
PolarSurfaceArea : 112.98 |
Druglikeness : 5.2653 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : limit! 5-methylene-imidazolidine-2,4-dione |
Shape Index : 0.55556 |
Fragments : 1 |
Non HAtoms : 36 |
NonCHAtoms : 10 |
Electronegative Atoms : 10 |
Rotatable Bond : 6 |
Rings Closures : 5 |
Small Rings : 5 |
Aromatic Rings : 3 |
Aromatic Atoms : 15 |
Sp3Atoms : 7 |
Symmetricatoms : 4 |
Amides : 4 |
Aromatic Nitrogens : 1 |
StereoCon : |
| spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |