(E)-3-[1-[2-hydroxy-3-[2-(1H-indol-3-yl)ethylamino]propyl]indol-3-yl]-1-thiophen-2-ylprop-2-en-1-one
Formula:C28H27N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[1-[2-hydroxy-3-[2-(1H-indol-3-yl)ethylamino]propyl]indol-3-yl]-1-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-[1-[2-hydroxy-3-[2-(1H-indol-3-yl)ethylamino]propyl]indol-3-yl]-1-thiophen-2-ylprop-2-en-1-one |
| MolecularFormula | C28H27N3O2S |
| Smiles | OC(CNCCc1c[nH]c2c1cccc2)Cn1c(cccc2)c2c(/C=C/C(c2cccs2)=O)c1 |
| InChI | InChI=1S/C28H27N3O2S/c32-22(17-29-14-13-20-16-30-25-8-3-1-6-23(20)25)19-31-18-21(24-7-2-4-9-26(24)31)11-12-27(33)28-10-5-15-34-28/h1-12,15-16,18,22,29-30,32H,13-14,17,19H2/t22-/m0/s1 |
| InChIK | AULOXSKXIGDYQL-QFIPXVFZSA-N |
| TotalMolweight | 469.607 |
| Molweight | 469.607 |
| MonoisotopicMass | 469.182397 |
| CLogP | 3.9458 |
| CLogS | -5.359 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 366.29 |
| Relative PSA | 0.21518 |
| PolarSurfaceArea | 98.29 |
| Druglikeness | 6.6488 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 10 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 7 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-3-[1-[2-hydroxy-3-[2-(1H-indol-3-yl)ethylamino]propyl]indol-3-yl]-1-thiophen-2-ylprop-2-en-1-one | 2 - (E)-3-[1-[2-hydroxy-3-[2-(1H-indol-3-yl)ethylamino]propyl]indol-3-yl]-1-thiophen-2-ylprop-2-en-1-one
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