2-[4-[(Z)-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C20H17N7O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is not a drug-like molecule.
| MolName | 2-[4-[(Z)-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C20H17N7O5 |
| Smiles | Nc1nonc1-c1nc(cccc2)c2n1CC(N/N=C\c(cc1)ccc1OCC(O)=O)=O |
| InChI | InChI=1S/C20H17N7O5/c21-19-18(25-32-26-19)20-23-14-3-1-2-4-15(14)27(20)10-16(28)24-22-9-12-5-7-13(8-6-12)31-11-17(29)30/h1-9H,10-11H2,(H2,21,26)(H,24,28)(H,29,30) |
| InChIK | ZWCGSWKHAMHROX-UHFFFAOYSA-N |
| TotalMolweight | 435.399 |
| Molweight | 435.399 |
| MonoisotopicMass | 435.129118 |
| CLogP | 1.2376 |
| CLogS | -3.536 |
| H Acceptors | 12 |
| H Donors | 3 |
| TotalSurfaceArea | 326.66 |
| Relative PSA | 0.43259 |
| PolarSurfaceArea | 170.75 |
| Druglikeness | 6.647 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[4-[(Z)-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
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