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NIH-ZINC04956314

 MMsINC code: MMs02536247
Type: Neutral
Formula: C14H25NO5
SMILES:   O(C(=O)CCC(NC(=O)C)CCCCCC(OC)=O)C
InChI:   InChI=1/C14H25NO5/c1-11(16)15-12(9-10-14(18)20-3)7-5-4-6-8-13(17)19-2/h12H,4-10H2,1-3H3,(H,15,16)/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=23.706 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.356 g/mol  logS: -1.67295  SlogP: 1.5678  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0347964  Sterimol/B1: 1.969  Sterimol/B2: 3.02216  Sterimol/B3: 3.42149
  Sterimol/B4: 7.25418  Sterimol/L: 20.69 
 
 Surface and Volume Properties
  Accessible surface: 602.032  Positive charged surface: 472.226  Negative charged surface: 129.807  Volume: 291.75
  Hydrophobic surface: 477.902  Hydrophilic surface: 124.13
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.