7-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Formula:C19H23NO5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
7-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one is a drug-like molecule.
| MolName | 7-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one |
| MolecularFormula | C19H23NO5 |
| Smiles | O[C@H](CN1CCOCC1)COc(cc1)cc(O2)c1C(CCC1)=C1C2=O |
| InChI | InChI=1S/C19H23NO5/c21-13(11-20-6-8-23-9-7-20)12-24-14-4-5-16-15-2-1-3-17(15)19(22)25-18(16)10-14/h4-5,10,13,21H,1-3,6-9,11-12H2/t13-/m1/s1 |
| InChIK | PZCLEARHRKZHFW-CYBMUJFWSA-N |
| TotalMolweight | 345.394 |
| Molweight | 345.394 |
| MonoisotopicMass | 345.157624 |
| CLogP | 1.096 |
| CLogS | -1.958 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 256.42 |
| Relative PSA | 0.23278 |
| PolarSurfaceArea | 68.23 |
| Druglikeness | 1.1209 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 15 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - 7-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one | 2 - 7-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off