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NCID-ZINC05618839

 MMsINC code: MMs02481149
Type: Neutral
Formula: C6H10N2O2
SMILES:   O=C1N(C)C(=O)C(N)C1C
InChI:   InChI=1/C6H10N2O2/c1-3-4(7)6(10)8(2)5(3)9/h3-4H,7H2,1-2H3/t3-,4-/m1/s1

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Potential Energy
Epot(MMFF94)=10.3798 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.158 g/mol  logS: 0.03168  SlogP: -1.0516  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.162078  Sterimol/B1: 2.46211  Sterimol/B2: 2.47075  Sterimol/B3: 3.35869
  Sterimol/B4: 5.60834  Sterimol/L: 8.95273 
 
 Surface and Volume Properties
  Accessible surface: 319.597  Positive charged surface: 227.114  Negative charged surface: 92.4824  Volume: 134.75
  Hydrophobic surface: 160.962  Hydrophilic surface: 158.635
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.