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CHEMBRIDGE-ZINC02494460

 MMsINC code: MMs00711236
Type: Neutral
Formula: C12H24N2O3
SMILES:   O(CC)C(=O)N1CCC(NCCCOC)CC1
InChI:   InChI=1/C12H24N2O3/c1-3-17-12(15)14-8-5-11(6-9-14)13-7-4-10-16-2/h11,13H,3-10H2,1-2H3

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Potential Energy
Epot(MMFF94)=-2.71061 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.335 g/mol  logS: -0.72488  SlogP: 1.2334  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0353422  Sterimol/B1: 2.11468  Sterimol/B2: 2.88992  Sterimol/B3: 3.60134
  Sterimol/B4: 6.50884  Sterimol/L: 18.484 
 
 Surface and Volume Properties
  Accessible surface: 538.081  Positive charged surface: 461.106  Negative charged surface: 76.9752  Volume: 256.375
  Hydrophobic surface: 454.458  Hydrophilic surface: 83.623
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00711237
CHEMBRIDGE-ZINC02494460