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CHEMBRIDGE-ZINC03683604

 MMsINC code: MMs00754394
Type: Neutral
Formula: C13H26N2O2
SMILES:   O(C(=O)CN(C)C1CCN(CC1)CCC)CC
InChI:   InChI=1/C13H26N2O2/c1-4-8-15-9-6-12(7-10-15)14(3)11-13(16)17-5-2/h12H,4-11H2,1-3H3

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Potential Energy
Epot(MMFF94)=50.2525 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.363 g/mol  logS: -1.20306  SlogP: 1.3557  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0495547  Sterimol/B1: 2.46485  Sterimol/B2: 3.13829  Sterimol/B3: 3.60422
  Sterimol/B4: 5.35061  Sterimol/L: 17.8658 
 
 Surface and Volume Properties
  Accessible surface: 517.989  Positive charged surface: 429.639  Negative charged surface: 88.3503  Volume: 262.625
  Hydrophobic surface: 433.301  Hydrophilic surface: 84.688
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs00754395
CHEMBRIDGE-ZINC03683604