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CHEMDIV-ZINC00246448

 MMsINC code: MMs00845790
Type: Neutral
Formula: C12H22N2O2
SMILES:   O=C(NC1CCCC1)C(NC(=O)C)(CC)C
InChI:   InChI=1/C12H22N2O2/c1-4-12(3,14-9(2)15)11(16)13-10-7-5-6-8-10/h10H,4-8H2,1-3H3,(H,13,16)(H,14,15)/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=45.0426 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.32 g/mol  logS: -1.75515  SlogP: 1.35  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.183458  Sterimol/B1: 2.05755  Sterimol/B2: 2.69754  Sterimol/B3: 5.59615
  Sterimol/B4: 6.27798  Sterimol/L: 12.4039 
 
 Surface and Volume Properties
  Accessible surface: 462.863  Positive charged surface: 323.848  Negative charged surface: 139.015  Volume: 240
  Hydrophobic surface: 376.215  Hydrophilic surface: 86.648
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.