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KEYORGANICS-ZINC01389502

 MMsINC code: MMs02098623
Type: Neutral
Formula: C14H26N2O3
SMILES:   O(C(=O)C(NC(=O)NC1CCCCC1)C(C)(C)C)C
InChI:   InChI=1/C14H26N2O3/c1-14(2,3)11(12(17)19-4)16-13(18)15-10-8-6-5-7-9-10/h10-11H,5-9H2,1-4H3,(H2,15,16,18)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=32.0224 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.373 g/mol  logS: -2.41616  SlogP: 2.206  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0870626  Sterimol/B1: 2.53448  Sterimol/B2: 3.28237  Sterimol/B3: 4.38018
  Sterimol/B4: 6.03693  Sterimol/L: 15.8361 
 
 Surface and Volume Properties
  Accessible surface: 524.33  Positive charged surface: 406.17  Negative charged surface: 118.16  Volume: 279.5
  Hydrophobic surface: 405.621  Hydrophilic surface: 118.709
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.