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CHEMBRIDGE-ZINC03683625

 MMsINC code: MMs00754408
Type: Neutral
Formula: C12H24N2O3
SMILES:   O(CC)C(=O)N1CCC(NC(COC)C)CC1
InChI:   InChI=1/C12H24N2O3/c1-4-17-12(15)14-7-5-11(6-8-14)13-10(2)9-16-3/h10-11,13H,4-9H2,1-3H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=10.1768 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.335 g/mol  logS: -0.85032  SlogP: 1.2318  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0731976  Sterimol/B1: 2.38049  Sterimol/B2: 3.17095  Sterimol/B3: 3.71131
  Sterimol/B4: 5.96403  Sterimol/L: 16.5228 
 
 Surface and Volume Properties
  Accessible surface: 518.788  Positive charged surface: 437.634  Negative charged surface: 81.1542  Volume: 254.625
  Hydrophobic surface: 427.072  Hydrophilic surface: 91.716
 
 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


MMs00754409
CHEMBRIDGE-ZINC03683625