(E)-2-(1H-benzimidazol-2-yl)-3-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]prop-2-enenitrile
Formula:C24H21N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1H-benzimidazol-2-yl)-3-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(1H-benzimidazol-2-yl)-3-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]prop-2-enenitrile |
| MolecularFormula | C24H21N5O2 |
| Smiles | N#C/C(/c1nc(cccc2)c2[nH]1)=C\c1cn(CC(N2CCOCC2)=O)c2c1cccc2 |
| InChI | InChI=1S/C24H21N5O2/c25-14-17(24-26-20-6-2-3-7-21(20)27-24)13-18-15-29(22-8-4-1-5-19(18)22)16-23(30)28-9-11-31-12-10-28/h1-8,13,15H,9-12,16H2,(H,26,27) |
| InChIK | IBPYXWPECSSPOD-UHFFFAOYSA-N |
| TotalMolweight | 411.464 |
| Molweight | 411.464 |
| MonoisotopicMass | 411.169525 |
| CLogP | 2.1628 |
| CLogS | -2.489 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 319.52 |
| Relative PSA | 0.22528 |
| PolarSurfaceArea | 86.94 |
| Druglikeness | -0.67762 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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