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VITASM-ZINC04674748

 MMsINC code: MMs03954935
Type: Ionized
Formula: C14H24NO4-
SMILES:   O(C(C)C)CCCNC(=O)C1CCCCC1C(=O)[O-]
InChI:   InChI=1/C14H25NO4/c1-10(2)19-9-5-8-15-13(16)11-6-3-4-7-12(11)14(17)18/h10-12H,3-9H2,1-2H3,(H,15,16)(H,17,18)/p-1/t11-,12+/m1/s1

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Potential Energy
Epot(MMFF94)=0.162833 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.349 g/mol  logS: -2.11401  SlogP: 0.474  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0495772  Sterimol/B1: 3.34279  Sterimol/B2: 3.34377  Sterimol/B3: 4.13026
  Sterimol/B4: 5.18821  Sterimol/L: 16.0804 
 
 Surface and Volume Properties
  Accessible surface: 540.331  Positive charged surface: 399.684  Negative charged surface: 140.646  Volume: 274
  Hydrophobic surface: 406.528  Hydrophilic surface: 133.803
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 2
 
 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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Parent related molecule:


MMs03954934
VITASM-ZINC04674748