(2S)-N-cyclohexyl-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetamide
Formula:C27H29N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2S)-N-cyclohexyl-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetamide is a drug-like molecule.
| MolName | (2S)-N-cyclohexyl-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetamide |
| MolecularFormula | C27H29N3O4 |
| Smiles | O=C(Cc1c[nH]c2c1cccc2)N(Cc1ccco1)[C@H](C(NC1CCCCC1)=O)c1ccco1 |
| InChI | InChI=1S/C27H29N3O4/c31-25(16-19-17-28-23-12-5-4-11-22(19)23)30(18-21-10-6-14-33-21)26(24-13-7-15-34-24)27(32)29-20-8-2-1-3-9-20/h4-7,10-15,17,20,26,28H,1-3,8-9,16,18H2,(H,29,32)/t26-/m0/s1 |
| InChIK | GAXNTTZEYNZKSL-SANMLTNESA-N |
| TotalMolweight | 459.544 |
| Molweight | 459.544 |
| MonoisotopicMass | 459.215807 |
| CLogP | 3.1358 |
| CLogS | -4.871 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 361.41 |
| Relative PSA | 0.23049 |
| PolarSurfaceArea | 91.48 |
| Druglikeness | 0.84563 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44118 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
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1 - (2S)-N-cyclohexyl-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetamide | 2 - (2S)-N-cyclohexyl-2-(furan-2-yl)-2-[furan-2-ylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetamide
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