(E)-4-(cyclododecylamino)-4-oxobut-2-enoic acid
Formula:C16H27NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-(cyclododecylamino)-4-oxobut-2-enoic acid is a drug-like molecule.
| MolName | (E)-4-(cyclododecylamino)-4-oxobut-2-enoic acid |
| MolecularFormula | C16H27NO3 |
| Smiles | OC(/C=C/C(NC1CCCCCCCCCCC1)=O)=O |
| InChI | InChI=1S/C16H27NO3/c18-15(12-13-16(19)20)17-14-10-8-6-4-2-1-3-5-7-9-11-14/h12-14H,1-11H2,(H,17,18)(H,19,20) |
| InChIK | JLQUSPMGSQIXNE-UHFFFAOYSA-N |
| TotalMolweight | 281.394 |
| Molweight | 281.394 |
| MonoisotopicMass | 281.199094 |
| CLogP | 3.8217 |
| CLogS | -3.432 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 243.67 |
| Relative PSA | 0.20782 |
| PolarSurfaceArea | 66.4 |
| Druglikeness | -2.9707 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Sp3Atoms | 13 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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