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NCID-ZINC00394092

 MMsINC code: MMs02215148
Type: Neutral
Formula: C5H10N2O2
SMILES:   O1CCN(CC1)C(=O)N
InChI:   InChI=1/C5H10N2O2/c6-5(8)7-1-3-9-4-2-7/h1-4H2,(H2,6,8)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=5.42429 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 130.147 g/mol  logS: 0.10419  SlogP: -0.6027  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.176147  Sterimol/B1: 2.55143  Sterimol/B2: 2.67549  Sterimol/B3: 3.35438
  Sterimol/B4: 5.31744  Sterimol/L: 9.11228 
 
 Surface and Volume Properties
  Accessible surface: 294.105  Positive charged surface: 240.16  Negative charged surface: 53.9451  Volume: 122
  Hydrophobic surface: 178.272  Hydrophilic surface: 115.833
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.