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NCID-ZINC04783450

 MMsINC code: MMs02405897
Type: Neutral
Formula: C5H10N2O2
SMILES:   O1CCN(N(C)C)C1=O
InChI:   InChI=1/C5H10N2O2/c1-6(2)7-3-4-9-5(7)8/h3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.0363 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 130.147 g/mol  logS: 0.34435  SlogP: -0.0848  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.236951  Sterimol/B1: 2.33755  Sterimol/B2: 2.83328  Sterimol/B3: 4.0976
  Sterimol/B4: 4.79787  Sterimol/L: 8.9652 
 
 Surface and Volume Properties
  Accessible surface: 303.067  Positive charged surface: 260.999  Negative charged surface: 42.0683  Volume: 126.25
  Hydrophobic surface: 243.913  Hydrophilic surface: 59.154
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.