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PUBCHEM-ZINC05510545

 MMsINC code: MMs03291885
Type: Neutral
Formula: C11H18N2O2
SMILES:   O=C1N(C2CCCCC2)C(=O)CC1NC
InChI:   InChI=1/C11H18N2O2/c1-12-9-7-10(14)13(11(9)15)8-5-3-2-4-6-8/h8-9,12H,2-7H2,1H3/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=17.3892 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.277 g/mol  logS: -1.31327  SlogP: 0.666  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123848  Sterimol/B1: 2.34402  Sterimol/B2: 3.35392  Sterimol/B3: 3.66871
  Sterimol/B4: 5.19334  Sterimol/L: 13.0548 
 
 Surface and Volume Properties
  Accessible surface: 421.23  Positive charged surface: 324.384  Negative charged surface: 96.8465  Volume: 210.25
  Hydrophobic surface: 337.445  Hydrophilic surface: 83.785
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.