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PUBCHEM-ZINC03620399

 MMsINC code: MMs03024063
Type: Neutral
Formula: C13H20N2O4
SMILES:   OC1CCC(N2C(=O)C(CCC)C(=O)NC2=O)CC1
InChI:   InChI=1/C13H20N2O4/c1-2-3-10-11(17)14-13(19)15(12(10)18)8-4-6-9(16)7-5-8/h8-10,16H,2-7H2,1H3,(H,14,17,19)/t8-,9+,10-/m1/s1

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Potential Energy
Epot(MMFF94)=6.78839 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.313 g/mol  logS: -2.28931  SlogP: 0.7846  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0937966  Sterimol/B1: 2.70909  Sterimol/B2: 2.82037  Sterimol/B3: 4.0288
  Sterimol/B4: 5.22782  Sterimol/L: 14.9075 
 
 Surface and Volume Properties
  Accessible surface: 474.389  Positive charged surface: 340.698  Negative charged surface: 133.691  Volume: 249.25
  Hydrophobic surface: 293.763  Hydrophilic surface: 180.626
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.