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PUBCHEM-ZINC05668862

 MMsINC code: MMs03341077
Type: Neutral
Formula: C6H12N2O2
SMILES:   O1CCN(CC1)C(=O)NC
InChI:   InChI=1/C6H12N2O2/c1-7-6(9)8-2-4-10-5-3-8/h2-5H2,1H3,(H,7,9)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.80545 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 144.174 g/mol  logS: 0.21018  SlogP: -0.342  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115393  Sterimol/B1: 2.73013  Sterimol/B2: 3.39875  Sterimol/B3: 3.65305
  Sterimol/B4: 4.03129  Sterimol/L: 10.2564 
 
 Surface and Volume Properties
  Accessible surface: 328.926  Positive charged surface: 289.781  Negative charged surface: 39.1453  Volume: 141.25
  Hydrophobic surface: 266.334  Hydrophilic surface: 62.592
 
 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.