(E)-N-(1-benzylpyrrolidin-3-yl)-3-(1H-indol-3-yl)prop-2-enamide
Formula:C22H23N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(1-benzylpyrrolidin-3-yl)-3-(1H-indol-3-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(1-benzylpyrrolidin-3-yl)-3-(1H-indol-3-yl)prop-2-enamide |
| MolecularFormula | C22H23N3O |
| Smiles | O=C(/C=C/c1c[nH]c2c1cccc2)NC1CN(Cc2ccccc2)CC1 |
| InChI | InChI=1S/C22H23N3O/c26-22(11-10-18-14-23-21-9-5-4-8-20(18)21)24-19-12-13-25(16-19)15-17-6-2-1-3-7-17/h1-11,14,19,23H,12-13,15-16H2,(H,24,26)/t19-/m0/s1 |
| InChIK | DQXCTVWQEQIVRY-IBGZPJMESA-N |
| TotalMolweight | 345.445 |
| Molweight | 345.445 |
| MonoisotopicMass | 345.184112 |
| CLogP | 3.0442 |
| CLogS | -3.756 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 277.24 |
| Relative PSA | 0.15164 |
| PolarSurfaceArea | 48.13 |
| Druglikeness | 3.5966 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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