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CHEMBLOCK-ZINC04654064

 MMsINC code: MMs00568269
Type: Neutral
Formula: C12H20N2O4
SMILES:   O1C2(CCCCC2)C(O)(N(CCC(=O)N)C1=O)C
InChI:   InChI=1/C12H20N2O4/c1-11(17)12(6-3-2-4-7-12)18-10(16)14(11)8-5-9(13)15/h17H,2-8H2,1H3,(H2,13,15)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=23.9809 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.302 g/mol  logS: -1.69503  SlogP: 0.7254  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11441  Sterimol/B1: 2.06319  Sterimol/B2: 2.5347  Sterimol/B3: 5.33833
  Sterimol/B4: 6.06417  Sterimol/L: 14.401 
 
 Surface and Volume Properties
  Accessible surface: 456.734  Positive charged surface: 324.355  Negative charged surface: 132.379  Volume: 239.875
  Hydrophobic surface: 260.993  Hydrophilic surface: 195.741
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.