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NCID-ZINC01667871

 MMsINC code: MMs02304008
Type: Neutral
Formula: C14H25NO4
SMILES:   O(C(=O)CC(N1CC1)C(OCCCC)=O)CC(C)C
InChI:   InChI=1/C14H25NO4/c1-4-5-8-18-14(17)12(15-6-7-15)9-13(16)19-10-11(2)3/h11-12H,4-10H2,1-3H3/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=47.1163 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.357 g/mol  logS: -2.11048  SlogP: 1.6032  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0339232  Sterimol/B1: 2.55599  Sterimol/B2: 2.58572  Sterimol/B3: 3.76646
  Sterimol/B4: 8.44415  Sterimol/L: 18.0339 
 
 Surface and Volume Properties
  Accessible surface: 579.444  Positive charged surface: 426.314  Negative charged surface: 153.13  Volume: 284.625
  Hydrophobic surface: 464.562  Hydrophilic surface: 114.882
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.