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PUBCHEM-ZINC04690274

 MMsINC code: MMs03157261
Type: Neutral
Formula: C11H19NO4
SMILES:   O(CC(=O)N1CC(CC(C1)C)C)CC(O)=O
InChI:   InChI=1/C11H19NO4/c1-8-3-9(2)5-12(4-8)10(13)6-16-7-11(14)15/h8-9H,3-7H2,1-2H3,(H,14,15)/t8-,9-/m1/s1

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Potential Energy
Epot(MMFF94)=49.965 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.276 g/mol  logS: -0.95329  SlogP: 0.5921  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0889518  Sterimol/B1: 2.16855  Sterimol/B2: 3.22444  Sterimol/B3: 3.89417
  Sterimol/B4: 6.67376  Sterimol/L: 14.2036 
 
 Surface and Volume Properties
  Accessible surface: 460.123  Positive charged surface: 332.131  Negative charged surface: 127.992  Volume: 224
  Hydrophobic surface: 278.065  Hydrophilic surface: 182.058
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  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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Ions/Tautomers related molecules


MMs03157262
PUBCHEM-ZINC04690274