(6Z)-3-amino-6-benzylidene-1-(3-hydroxypropyl)imidazo[1,2-a]imidazol-5-one
Formula:C15H16N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-3-amino-6-benzylidene-1-(3-hydroxypropyl)imidazo[1,2-a]imidazol-5-one is a drug-like molecule.
| MolName | (6Z)-3-amino-6-benzylidene-1-(3-hydroxypropyl)imidazo[1,2-a]imidazol-5-one |
| MolecularFormula | C15H16N4O2 |
| Smiles | NC(N1C2=O)=CN(CCCO)C1=N/C2=C\c1ccccc1 |
| InChI | InChI=1S/C15H16N4O2/c16-13-10-18(7-4-8-20)15-17-12(14(21)19(13)15)9-11-5-2-1-3-6-11/h1-3,5-6,9-10,20H,4,7-8,16H2 |
| InChIK | KVTGJEQVBVDSGC-UHFFFAOYSA-N |
| TotalMolweight | 284.318 |
| Molweight | 284.318 |
| MonoisotopicMass | 284.127326 |
| CLogP | 0.8215 |
| CLogS | -4.02 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 213.15 |
| Relative PSA | 0.28159 |
| PolarSurfaceArea | 82.16 |
| Druglikeness | 2.9619 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 2 |
| StereoCon |
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