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PUBCHEM-ZINC02044439

 MMsINC code: MMs02864386
Type: Neutral
Formula: C14H27NO3
SMILES:   O(C(CC)C)C(=O)CCC(=O)N(CCC)CCC
InChI:   InChI=1/C14H27NO3/c1-5-10-15(11-6-2)13(16)8-9-14(17)18-12(4)7-3/h12H,5-11H2,1-4H3/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=9.08996 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.374 g/mol  logS: -1.74328  SlogP: 2.7569  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0555824  Sterimol/B1: 2.24133  Sterimol/B2: 3.43012  Sterimol/B3: 3.71758
  Sterimol/B4: 8.48211  Sterimol/L: 16.0558 
 
 Surface and Volume Properties
  Accessible surface: 566.084  Positive charged surface: 415.305  Negative charged surface: 150.779  Volume: 283.375
  Hydrophobic surface: 426.174  Hydrophilic surface: 139.91
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.