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ENAMINE-ZINC03812874

 MMsINC code: MMs01526466
Type: Neutral
Formula: C6H10N2O2
SMILES:   O=C1N(CCC1)CC(=O)N
InChI:   InChI=1/C6H10N2O2/c7-5(9)4-8-3-1-2-6(8)10/h1-4H2,(H2,7,9)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.7381 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.158 g/mol  logS: -0.16821  SlogP: -0.9059  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134162  Sterimol/B1: 2.80341  Sterimol/B2: 2.94066  Sterimol/B3: 3.29896
  Sterimol/B4: 4.64902  Sterimol/L: 9.9464 
 
 Surface and Volume Properties
  Accessible surface: 320.98  Positive charged surface: 231.959  Negative charged surface: 89.0216  Volume: 134.625
  Hydrophobic surface: 171.477  Hydrophilic surface: 149.503
 
 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.