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NCID-ZINC00399356

 MMsINC code: MMs02216036
Type: Neutral
Formula: C7H12N2O2
SMILES:   O=C(N)C1N(CCC1)C(=O)C
InChI:   InChI=1/C7H12N2O2/c1-5(10)9-4-2-3-6(9)7(8)11/h6H,2-4H2,1H3,(H2,8,11)/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=42.8345 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.185 g/mol  logS: -0.49542  SlogP: -0.5174  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123472  Sterimol/B1: 2.87346  Sterimol/B2: 2.91798  Sterimol/B3: 2.93355
  Sterimol/B4: 5.61046  Sterimol/L: 9.52827 
 
 Surface and Volume Properties
  Accessible surface: 337.153  Positive charged surface: 241.408  Negative charged surface: 95.7451  Volume: 150.25
  Hydrophobic surface: 216.118  Hydrophilic surface: 121.035
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.