[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enoate
Formula:C29H28N2O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enoate is not a drug-like molecule.
| MolName | [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enoate |
| MolecularFormula | C29H28N2O5S |
| Smiles | O=C(COC(/C=C/c(cc1)ccc1S(N(CC1)c2c1cccc2)(=O)=O)=O)NC(CCC1)c2c1cccc2 |
| InChI | InChI=1S/C29H28N2O5S/c32-28(30-26-10-5-8-22-6-1-3-9-25(22)26)20-36-29(33)17-14-21-12-15-24(16-13-21)37(34,35)31-19-18-23-7-2-4-11-27(23)31/h1-4,6-7,9,11-17,26H,5,8,10,18-20H2,(H,30,32)/t26-/m0/s1 |
| InChIK | WNDSVWUCJDDBPW-SANMLTNESA-N |
| TotalMolweight | 516.616 |
| Molweight | 516.616 |
| MonoisotopicMass | 516.171893 |
| CLogP | 4.0483 |
| CLogS | -5.669 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 383.18 |
| Relative PSA | 0.20792 |
| PolarSurfaceArea | 101.16 |
| Druglikeness | 1.7155 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59459 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 9 |
| Symmetricatoms | 3 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enoate | 2 - [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enoate
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