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ENAMINE-ZINC04827877

 MMsINC code: MMs01553923
Type: Neutral
Formula: C12H20N2O4
SMILES:   O(C(C(=O)N)C)C(=O)CNC(=O)C1CCCCC1
InChI:   InChI=1/C12H20N2O4/c1-8(11(13)16)18-10(15)7-14-12(17)9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H2,13,16)(H,14,17)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=32.3481 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.302 g/mol  logS: -2.63157  SlogP: 0.0999  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0488871  Sterimol/B1: 2.19059  Sterimol/B2: 3.74851  Sterimol/B3: 4.25803
  Sterimol/B4: 4.98901  Sterimol/L: 16.489 
 
 Surface and Volume Properties
  Accessible surface: 512.343  Positive charged surface: 365.373  Negative charged surface: 146.97  Volume: 246.25
  Hydrophobic surface: 307.224  Hydrophilic surface: 205.119
 
 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.