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NCID-ZINC01672524

 MMsINC code: MMs02308562
Type: Neutral
Formula: C6H10N2O2
SMILES:   O=C1N(C)C(=O)NC1(C)C
InChI:   InChI=1/C6H10N2O2/c1-6(2)4(9)8(3)5(10)7-6/h1-3H3,(H,7,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-1.59534 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.158 g/mol  logS: -0.68891  SlogP: -0.0534  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.267332  Sterimol/B1: 2.36662  Sterimol/B2: 3.5781  Sterimol/B3: 4.20637
  Sterimol/B4: 4.88501  Sterimol/L: 8.98119 
 
 Surface and Volume Properties
  Accessible surface: 318.723  Positive charged surface: 218.619  Negative charged surface: 100.104  Volume: 134.125
  Hydrophobic surface: 176.626  Hydrophilic surface: 142.097
 
 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.