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FRINTON-ZINC06129997

 MMsINC code: MMs01728180
Type: Neutral
Formula: C7H12N2O2
SMILES:   O=C1N(CC(C1)C(=O)N)CC
InChI:   InChI=1/C7H12N2O2/c1-2-9-4-5(7(8)11)3-6(9)10/h5H,2-4H2,1H3,(H2,8,11)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=-1.45865 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.185 g/mol  logS: -0.05013  SlogP: -0.6599  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111255  Sterimol/B1: 2.26205  Sterimol/B2: 3.17763  Sterimol/B3: 3.72727
  Sterimol/B4: 4.61314  Sterimol/L: 11.3771 
 
 Surface and Volume Properties
  Accessible surface: 343.021  Positive charged surface: 245.184  Negative charged surface: 97.8367  Volume: 150.625
  Hydrophobic surface: 180.314  Hydrophilic surface: 162.707
 
 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.