(4E)-5-methylidene-4-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]pyrazolidin-3-one
Formula:C14H17N5O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-5-methylidene-4-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]pyrazolidin-3-one is a drug-like molecule.
| MolName | (4E)-5-methylidene-4-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]pyrazolidin-3-one |
| MolecularFormula | C14H17N5O4S |
| Smiles | C=C(/C1=N\Nc(cc2)ccc2S(N2CCOCC2)(=O)=O)NNC1=O |
| InChI | InChI=1S/C14H17N5O4S/c1-10-13(14(20)18-15-10)17-16-11-2-4-12(5-3-11)24(21,22)19-6-8-23-9-7-19/h2-5,15-16H,1,6-9H2,(H,18,20) |
| InChIK | YYCIMKDZCQAYMO-UHFFFAOYSA-N |
| TotalMolweight | 351.386 |
| Molweight | 351.386 |
| MonoisotopicMass | 351.100125 |
| CLogP | 0.2569 |
| CLogS | -1.518 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 248.03 |
| Relative PSA | 0.40745 |
| PolarSurfaceArea | 120.51 |
| Druglikeness | 2.5993 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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