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PUBCHEM-ZINC05382626

 MMsINC code: MMs03253108
Type: Neutral
Formula: C15H24N2O4
SMILES:   O1CCN(CC1)CCCNC(=O)C1CC=CCC1C(O)=O
InChI:   InChI=1/C15H24N2O4/c18-14(12-4-1-2-5-13(12)15(19)20)16-6-3-7-17-8-10-21-11-9-17/h1-2,12-13H,3-11H2,(H,16,18)(H,19,20)/t12-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=40.4431 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.367 g/mol  logS: -0.08155  SlogP: 0.4919  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0829936  Sterimol/B1: 2.38859  Sterimol/B2: 4.00365  Sterimol/B3: 5.18268
  Sterimol/B4: 5.39791  Sterimol/L: 15.7816 
 
 Surface and Volume Properties
  Accessible surface: 547.663  Positive charged surface: 444.033  Negative charged surface: 103.63  Volume: 288.625
  Hydrophobic surface: 408.254  Hydrophilic surface: 139.409
 
 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.