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PUBCHEM-ZINC05898004

 MMsINC code: MMs03434551
Type: Neutral
Formula: C14H22N2O4
SMILES:   O1CCN(CC1)CCNC(=O)C1CC=CCC1C(O)=O
InChI:   InChI=1/C14H22N2O4/c17-13(11-3-1-2-4-12(11)14(18)19)15-5-6-16-7-9-20-10-8-16/h1-2,11-12H,3-10H2,(H,15,17)(H,18,19)/t11-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=52.3161 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.34 g/mol  logS: 0.12022  SlogP: 0.1018  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0322216  Sterimol/B1: 2.87281  Sterimol/B2: 3.09034  Sterimol/B3: 3.3776
  Sterimol/B4: 6.521  Sterimol/L: 15.9539 
 
 Surface and Volume Properties
  Accessible surface: 523.371  Positive charged surface: 411.579  Negative charged surface: 111.792  Volume: 271.5
  Hydrophobic surface: 371.946  Hydrophilic surface: 151.425
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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: no related molecules available.