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PUBCHEM-ZINC00541681

 MMsINC code: MMs02701113
Type: Neutral
Formula: C14H26N2O3
SMILES:   O(C(=O)C(NC(=O)NC1CCCCC1)C(CC)C)C
InChI:   InChI=1/C14H26N2O3/c1-4-10(2)12(13(17)19-3)16-14(18)15-11-8-6-5-7-9-11/h10-12H,4-9H2,1-3H3,(H2,15,16,18)/t10-,12+/m1/s1

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Potential Energy
Epot(MMFF94)=15.5282 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.373 g/mol  logS: -2.72961  SlogP: 2.206  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0794359  Sterimol/B1: 2.04861  Sterimol/B2: 3.0789  Sterimol/B3: 4.36098
  Sterimol/B4: 7.7853  Sterimol/L: 15.7305 
 
 Surface and Volume Properties
  Accessible surface: 542.326  Positive charged surface: 418.465  Negative charged surface: 123.862  Volume: 280.625
  Hydrophobic surface: 421.707  Hydrophilic surface: 120.619
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.