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PUBCHEM-ZINC06168487

 MMsINC code: MMs03576977
Type: Neutral
Formula: C12H24N2O3
SMILES:   O(C(=O)C(NC(=O)NC(CC)C)C(CC)C)C
InChI:   InChI=1/C12H24N2O3/c1-6-8(3)10(11(15)17-5)14-12(16)13-9(4)7-2/h8-10H,6-7H2,1-5H3,(H2,13,14,16)/t8-,9-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=14.5014 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.335 g/mol  logS: -2.11466  SlogP: 1.6718  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.114823  Sterimol/B1: 2.03939  Sterimol/B2: 2.91766  Sterimol/B3: 4.267
  Sterimol/B4: 7.57922  Sterimol/L: 14.1184 
 
 Surface and Volume Properties
  Accessible surface: 501.389  Positive charged surface: 378.992  Negative charged surface: 122.398  Volume: 257.625
  Hydrophobic surface: 357.96  Hydrophilic surface: 143.429
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.