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IFLAB-ZINC04248075

 MMsINC code: MMs02028806
Type: Neutral
Formula: C12H24N2O3
SMILES:   OC(=O)C(NCCCC)CC(=O)NCCCC
InChI:   InChI=1/C12H24N2O3/c1-3-5-7-13-10(12(16)17)9-11(15)14-8-6-4-2/h10,13H,3-9H2,1-2H3,(H,14,15)(H,16,17)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=14.0437 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.335 g/mol  logS: -1.49621  SlogP: 1.1357  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0334716  Sterimol/B1: 2.24383  Sterimol/B2: 2.56045  Sterimol/B3: 3.18477
  Sterimol/B4: 9.21156  Sterimol/L: 16.5083 
 
 Surface and Volume Properties
  Accessible surface: 545.567  Positive charged surface: 415.16  Negative charged surface: 130.408  Volume: 257.5
  Hydrophobic surface: 365.409  Hydrophilic surface: 180.158
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.