(E)-4-(dicyclohexylamino)-4-oxobut-2-enoate
Formula:C16H24NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-(dicyclohexylamino)-4-oxobut-2-enoate is a drug-like molecule.
| MolName | (E)-4-(dicyclohexylamino)-4-oxobut-2-enoate |
| MolecularFormula | C16H24NO3 |
| Smiles | [O-]C(/C=C/C(N(C1CCCCC1)C1CCCCC1)=O)=O |
| InChI | InChI=1S/C16H25NO3/c18-15(11-12-16(19)20)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h11-14H,1-10H2,(H,19,20)/p-1 |
| InChIK | RHYPIWFDAVETLM-UHFFFAOYSA-M |
| TotalMolweight | 278.371 |
| Molweight | 278.371 |
| MonoisotopicMass | 278.175619 |
| CLogP | 0.3368 |
| CLogS | -3.024 |
| H Acceptors | 4 |
| TotalSurfaceArea | 228.93 |
| Relative PSA | 0.19181 |
| PolarSurfaceArea | 60.44 |
| Druglikeness | -8.6507 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3Atoms | 13 |
| Symmetricatoms | 8 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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