(6Z)-3-amino-1-benzyl-6-(furan-2-ylmethylidene)imidazo[1,2-a]imidazol-5-one
Formula:C17H14N4O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(6Z)-3-amino-1-benzyl-6-(furan-2-ylmethylidene)imidazo[1,2-a]imidazol-5-one is a drug-like molecule.
| MolName | (6Z)-3-amino-1-benzyl-6-(furan-2-ylmethylidene)imidazo[1,2-a]imidazol-5-one |
| MolecularFormula | C17H14N4O2 |
| Smiles | NC(N1C2=O)=CN(Cc3ccccc3)C1=N/C2=C\c1ccco1 |
| InChI | InChI=1S/C17H14N4O2/c18-15-11-20(10-12-5-2-1-3-6-12)17-19-14(16(22)21(15)17)9-13-7-4-8-23-13/h1-9,11H,10,18H2 |
| InChIK | WFEULCXHACBZTL-UHFFFAOYSA-N |
| TotalMolweight | 306.324 |
| Molweight | 306.324 |
| MonoisotopicMass | 306.111676 |
| CLogP | 1.4943 |
| CLogS | -4.962 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 228.73 |
| Relative PSA | 0.26682 |
| PolarSurfaceArea | 75.07 |
| Druglikeness | 4.3386 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (6Z)-3-amino-1-benzyl-6-(furan-2-ylmethylidene)imidazo[1,2-a]imidazol-5-one | 2 - (6Z)-3-amino-1-benzyl-6-(furan-2-ylmethylidene)imidazo[1,2-a]imidazol-5-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off