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NCID-ZINC01687970

 MMsINC code: MMs02320593
Type: Neutral
Formula: C14H27NO3
SMILES:   O(C(=O)CCC(=O)N(CC(C)C)CC(C)C)CC
InChI:   InChI=1/C14H27NO3/c1-6-18-14(17)8-7-13(16)15(9-11(2)3)10-12(4)5/h11-12H,6-10H2,1-5H3

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Potential Energy
Epot(MMFF94)=26.5765 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.374 g/mol  logS: -1.61784  SlogP: 2.4703  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0629885  Sterimol/B1: 3.00242  Sterimol/B2: 3.21555  Sterimol/B3: 4.13729
  Sterimol/B4: 6.94539  Sterimol/L: 16.1586 
 
 Surface and Volume Properties
  Accessible surface: 540.825  Positive charged surface: 397.082  Negative charged surface: 143.743  Volume: 281.5
  Hydrophobic surface: 388.12  Hydrophilic surface: 152.705
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: no related molecules available.