5-amino-5-oxo-2-(7H-purine-6-carbonylamino)pentanoic acid
Formula:C11H12N6O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
5-amino-5-oxo-2-(7H-purine-6-carbonylamino)pentanoic acid is a drug-like molecule.
| MolName | 5-amino-5-oxo-2-(7H-purine-6-carbonylamino)pentanoic acid |
| MolecularFormula | C11H12N6O4 |
| Smiles | NC(CCC(C(O)=O)NC(c1ncnc2c1[nH]cn2)=O)=O |
| InChI | InChI=1S/C11H12N6O4/c12-6(18)2-1-5(11(20)21)17-10(19)8-7-9(15-3-13-7)16-4-14-8/h3-5H,1-2H2,(H2,12,18)(H,17,19)(H,20,21)(H,13,14,15,16)/t5-/m0/s1 |
| InChIK | PHCUKPFGQGEUPM-YFKPBYRVSA-N |
| TotalMolweight | 292.254 |
| Molweight | 292.254 |
| MonoisotopicMass | 292.092004 |
| CLogP | -1.9747 |
| CLogS | -1.941 |
| H Acceptors | 10 |
| H Donors | 4 |
| TotalSurfaceArea | 213.31 |
| Relative PSA | 0.58999 |
| PolarSurfaceArea | 163.95 |
| Druglikeness | -8.7832 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 4 |
| Amides | 2 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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