(E,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-phenylpent-4-enoic acid
Formula:C26H23NO4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-phenylpent-4-enoic acid is a drug-like molecule.
| MolName | (E,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-phenylpent-4-enoic acid |
| MolecularFormula | C26H23NO4 |
| Smiles | OC([C@@H](C/C=C/c1ccccc1)NC(OCC1c(cccc2)c2-c2c1cccc2)=O)=O |
| InChI | InChI=1S/C26H23NO4/c28-25(29)24(16-8-11-18-9-2-1-3-10-18)27-26(30)31-17-23-21-14-6-4-12-19(21)20-13-5-7-15-22(20)23/h1-15,23-24H,16-17H2,(H,27,30)(H,28,29)/t24-/m1/s1 |
| InChIK | ZFMHHKMOLFNMMV-XMMPIXPASA-N |
| TotalMolweight | 413.472 |
| Molweight | 413.472 |
| MonoisotopicMass | 413.162709 |
| CLogP | 4.3316 |
| CLogS | -6.313 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 321.61 |
| Relative PSA | 0.18855 |
| PolarSurfaceArea | 75.63 |
| Druglikeness | -37.189 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 8 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
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