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ENAMINE-ZINC03592804

 MMsINC code: MMs01519274
Type: Neutral
Formula: C15H23N3O4
SMILES:   O1CCN(CC1)C(=O)CN1C(=O)C2(NC1=O)CCCCCC2
InChI:   InChI=1/C15H23N3O4/c19-12(17-7-9-22-10-8-17)11-18-13(20)15(16-14(18)21)5-3-1-2-4-6-15/h1-11H2,(H,16,21)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.2095 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.366 g/mol  logS: -2.37891  SlogP: 0.49  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0673359  Sterimol/B1: 3.00804  Sterimol/B2: 3.73757  Sterimol/B3: 4.2297
  Sterimol/B4: 4.4403  Sterimol/L: 15.9494 
 
 Surface and Volume Properties
  Accessible surface: 525.394  Positive charged surface: 398.536  Negative charged surface: 126.859  Volume: 289
  Hydrophobic surface: 399.177  Hydrophilic surface: 126.217
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.