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PUBCHEM-ZINC02767627

 MMsINC code: MMs02920639
Type: Neutral
Formula: C14H24N2O4
SMILES:   O1CCN(CC1)CCNC(=O)C1CCCCC1C(O)=O
InChI:   InChI=1/C14H24N2O4/c17-13(11-3-1-2-4-12(11)14(18)19)15-5-6-16-7-9-20-10-8-16/h11-12H,1-10H2,(H,15,17)(H,18,19)/t11-,12+/m0/s1

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Potential Energy
Epot(MMFF94)=54.3699 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.356 g/mol  logS: -1.0441  SlogP: 0.3258  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105817  Sterimol/B1: 2.56715  Sterimol/B2: 3.71145  Sterimol/B3: 3.99726
  Sterimol/B4: 7.12604  Sterimol/L: 14.7683 
 
 Surface and Volume Properties
  Accessible surface: 522.968  Positive charged surface: 425.979  Negative charged surface: 96.9892  Volume: 276.875
  Hydrophobic surface: 404.009  Hydrophilic surface: 118.959
 
 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.