[2-(cyclopentylamino)-2-oxoethyl] (4E)-4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
Formula:C28H27N2O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-(cyclopentylamino)-2-oxoethyl] (4E)-4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate is a drug-like molecule.
| MolName | [2-(cyclopentylamino)-2-oxoethyl] (4E)-4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate |
| MolecularFormula | C28H27N2O3F |
| Smiles | O=C(COC(c1c(CCC/C2=C\c(cc3)ccc3F)c2nc2ccccc12)=O)NC1CCCC1 |
| InChI | InChI=1S/C28H27FN2O3/c29-20-14-12-18(13-15-20)16-19-6-5-10-23-26(22-9-3-4-11-24(22)31-27(19)23)28(33)34-17-25(32)30-21-7-1-2-8-21/h3-4,9,11-16,21H,1-2,5-8,10,17H2,(H,30,32) |
| InChIK | WZSCIXYYHIZHJW-UHFFFAOYSA-N |
| TotalMolweight | 458.531 |
| Molweight | 458.531 |
| MonoisotopicMass | 458.200571 |
| CLogP | 4.9944 |
| CLogS | -6.326 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 349.98 |
| Relative PSA | 0.16718 |
| PolarSurfaceArea | 68.29 |
| Druglikeness | -0.39621 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [2-(cyclopentylamino)-2-oxoethyl] (4E)-4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate | 2 - [2-(cyclopentylamino)-2-oxoethyl] (4E)-4-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
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