2-[4-[(E)-C-phenyl-N-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]carbonimidoyl]phenoxy]acetic acid
Formula:C26H25N3O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(E)-C-phenyl-N-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]carbonimidoyl]phenoxy]acetic acid is not a drug-like molecule.
| MolName | 2-[4-[(E)-C-phenyl-N-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]carbonimidoyl]phenoxy]acetic acid |
| MolecularFormula | C26H25N3O6S |
| Smiles | OC(COc(cc1)ccc1/C(/c1ccccc1)=N/NC(c1cccc(S(N2CCCC2)(=O)=O)c1)=O)=O |
| InChI | InChI=1S/C26H25N3O6S/c30-24(31)18-35-22-13-11-20(12-14-22)25(19-7-2-1-3-8-19)27-28-26(32)21-9-6-10-23(17-21)36(33,34)29-15-4-5-16-29/h1-3,6-14,17H,4-5,15-16,18H2,(H,28,32)(H,30,31) |
| InChIK | JXNSGVWKAGUSOI-UHFFFAOYSA-N |
| TotalMolweight | 507.566 |
| Molweight | 507.566 |
| MonoisotopicMass | 507.146407 |
| CLogP | 3.3231 |
| CLogS | -5.115 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 373.24 |
| Relative PSA | 0.27939 |
| PolarSurfaceArea | 133.75 |
| Druglikeness | 1.5936 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.52778 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 7 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-[(E)-C-phenyl-N-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]carbonimidoyl]phenoxy]acetic acid | 2 - 2-[4-[(E)-C-phenyl-N-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]carbonimidoyl]phenoxy]acetic acid
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