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ENAMINE-ZINC03336081

 MMsINC code: MMs01379864
Type: Neutral
Formula: C5H10N2O2
SMILES:   OC1CC(NC1)C(=O)N
InChI:   InChI=1/C5H10N2O2/c6-5(9)4-1-3(8)2-7-4/h3-4,7-8H,1-2H2,(H2,6,9)/t3-,4+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.6168 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 130.147 g/mol  logS: 0.21589  SlogP: -1.8055  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150101  Sterimol/B1: 2.44703  Sterimol/B2: 2.53132  Sterimol/B3: 3.33476
  Sterimol/B4: 4.37443  Sterimol/L: 9.62952 
 
 Surface and Volume Properties
  Accessible surface: 300.252  Positive charged surface: 227.206  Negative charged surface: 73.0459  Volume: 123
  Hydrophobic surface: 119.435  Hydrophilic surface: 180.817
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.