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CHEMDIV-ZINC02943613

 MMsINC code: MMs00896034
Type: Neutral
Formula: C14H26N2O3
SMILES:   O=C1N(C(C)C)C(CC1)C(=O)NCCCOC(C)C
InChI:   InChI=1/C14H26N2O3/c1-10(2)16-12(6-7-13(16)17)14(18)15-8-5-9-19-11(3)4/h10-12H,5-9H2,1-4H3,(H,15,18)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=42.7112 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.373 g/mol  logS: -1.71547  SlogP: 1.3171  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0427672  Sterimol/B1: 2.12036  Sterimol/B2: 2.56336  Sterimol/B3: 4.83073
  Sterimol/B4: 6.28587  Sterimol/L: 17.0177 
 
 Surface and Volume Properties
  Accessible surface: 563.209  Positive charged surface: 420.684  Negative charged surface: 142.524  Volume: 284
  Hydrophobic surface: 421.738  Hydrophilic surface: 141.471
 
 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.