(E)-4-(dibenzylamino)-4-oxobut-2-enoate
Formula:C18H16NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-(dibenzylamino)-4-oxobut-2-enoate is a drug-like molecule.
| MolName | (E)-4-(dibenzylamino)-4-oxobut-2-enoate |
| MolecularFormula | C18H16NO3 |
| Smiles | [O-]C(/C=C/C(N(Cc1ccccc1)Cc1ccccc1)=O)=O |
| InChI | InChI=1S/C18H17NO3/c20-17(11-12-18(21)22)19(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,21,22)/p-1 |
| InChIK | IKYXHWTZDKHFSL-UHFFFAOYSA-M |
| TotalMolweight | 294.329 |
| Molweight | 294.329 |
| MonoisotopicMass | 294.113019 |
| CLogP | 0.0616 |
| CLogS | -2.522 |
| H Acceptors | 4 |
| TotalSurfaceArea | 240.37 |
| Relative PSA | 0.18268 |
| PolarSurfaceArea | 60.44 |
| Druglikeness | 2.1773 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 9 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-4-(dibenzylamino)-4-oxobut-2-enoate | 2 - (E)-4-(dibenzylamino)-4-oxobut-2-enoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off