(1R,3R)-3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide
Formula:C9H18N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1R,3R)-3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide is a drug-like molecule.
| MolName | (1R,3R)-3-amino-N-(3-amino-3-iminopropyl)cyclopentane-1-carboxamide |
| MolecularFormula | C9H18N4O |
| Smiles | N[C@H](CC1)C[C@@H]1C(NCCC(N)=N)=O |
| InChI | InChI=1S/C9H18N4O/c10-7-2-1-6(5-7)9(14)13-4-3-8(11)12/h6-7H,1-5,10H2,(H3,11,12)(H,13,14)/t6-,7+/m1/s1 |
| InChIK | YLJXZSWHZFXCDY-RQJHMYQMSA-N |
| TotalMolweight | 198.269 |
| Molweight | 198.269 |
| MonoisotopicMass | 198.148061 |
| CLogP | -1.8056 |
| CLogS | -0.485 |
| H Acceptors | 5 |
| H Donors | 4 |
| TotalSurfaceArea | 160.36 |
| Relative PSA | 0.44051 |
| PolarSurfaceArea | 104.99 |
| Druglikeness | 1.9237 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 8 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 2 |
| StereoCon | this enantiomer |
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