N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]-2-pyrrol-1-ylbenzamide
Formula:C26H25N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]-2-pyrrol-1-ylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]-2-pyrrol-1-ylbenzamide |
| MolecularFormula | C26H25N5O3 |
| Smiles | O=C(Cn1c(cccc2)c2c(/C=N\NC(c(cccc2)c2-n2cccc2)=O)c1)N1CCOCC1 |
| InChI | InChI=1S/C26H25N5O3/c32-25(30-13-15-34-16-14-30)19-31-18-20(21-7-1-3-9-23(21)31)17-27-28-26(33)22-8-2-4-10-24(22)29-11-5-6-12-29/h1-12,17-18H,13-16,19H2,(H,28,33) |
| InChIK | YJINNVCPGWFLSG-UHFFFAOYSA-N |
| TotalMolweight | 455.517 |
| Molweight | 455.517 |
| MonoisotopicMass | 455.19574 |
| CLogP | 2.7276 |
| CLogS | -5.399 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 353.1 |
| Relative PSA | 0.2162 |
| PolarSurfaceArea | 80.86 |
| Druglikeness | 6.3016 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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