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PUBCHEM-ZINC06382183

 MMsINC code: MMs03696808
Type: Neutral
Formula: C14H28N2O2
SMILES:   OC(C(=O)NCCN(CC)CC)C1CCCCC1
InChI:   InChI=1/C14H28N2O2/c1-3-16(4-2)11-10-15-14(18)13(17)12-8-6-5-7-9-12/h12-13,17H,3-11H2,1-2H3,(H,15,18)/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=42.2105 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.39 g/mol  logS: -2.28725  SlogP: 1.3856  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0959968  Sterimol/B1: 2.01307  Sterimol/B2: 3.03789  Sterimol/B3: 4.97614
  Sterimol/B4: 6.57002  Sterimol/L: 14.777 
 
 Surface and Volume Properties
  Accessible surface: 536.883  Positive charged surface: 414.654  Negative charged surface: 122.229  Volume: 278.125
  Hydrophobic surface: 417.527  Hydrophilic surface: 119.356
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03696809
PUBCHEM-ZINC06382183