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PUBCHEM-ZINC05957326

 MMsINC code: MMs03460187
Type: Neutral
Formula: C7H12N2O2
SMILES:   O=C1NCC(C1)C(=O)N(C)C
InChI:   InChI=1/C7H12N2O2/c1-9(2)7(11)5-3-6(10)8-4-5/h5H,3-4H2,1-2H3,(H,8,10)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=13.5838 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.185 g/mol  logS: 0.38307  SlogP: -0.7893  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1119  Sterimol/B1: 2.52638  Sterimol/B2: 2.99144  Sterimol/B3: 3.40799
  Sterimol/B4: 4.14711  Sterimol/L: 11.0696 
 
 Surface and Volume Properties
  Accessible surface: 339.523  Positive charged surface: 268.369  Negative charged surface: 71.1541  Volume: 151.875
  Hydrophobic surface: 221.146  Hydrophilic surface: 118.377
 
 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.