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PUBCHEM-ZINC06594193

 MMsINC code: MMs03812606
Type: Neutral
Formula: C15H25NO4
SMILES:   O1CCCC1CN(C(=O)C1CCCCC1C(O)=O)CC
InChI:   InChI=1/C15H25NO4/c1-2-16(10-11-6-5-9-20-11)14(17)12-7-3-4-8-13(12)15(18)19/h11-13H,2-10H2,1H3,(H,18,19)/t11-,12+,13-/m0/s1

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Potential Energy
Epot(MMFF94)=62.4897 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.368 g/mol  logS: -1.77097  SlogP: 1.9049  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.260378  Sterimol/B1: 2.22246  Sterimol/B2: 3.82743  Sterimol/B3: 5.44643
  Sterimol/B4: 8.33464  Sterimol/L: 12.4398 
 
 Surface and Volume Properties
  Accessible surface: 503.514  Positive charged surface: 391.945  Negative charged surface: 111.569  Volume: 280.125
  Hydrophobic surface: 394.358  Hydrophilic surface: 109.156
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs03812607
PUBCHEM-ZINC06594193