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PUBCHEM-ZINC05632902

 MMsINC code: MMs03330197
Type: Neutral
Formula: C13H24N2O3
SMILES:   O(CC(C)C)C(=O)NC(C(C)C)C(=O)NC1CC1
InChI:   InChI=1/C13H24N2O3/c1-8(2)7-18-13(17)15-11(9(3)4)12(16)14-10-5-6-10/h8-11H,5-7H2,1-4H3,(H,14,16)(H,15,17)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=29.155 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.346 g/mol  logS: -2.02638  SlogP: 1.6718  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0759784  Sterimol/B1: 3.02907  Sterimol/B2: 3.14299  Sterimol/B3: 4.094
  Sterimol/B4: 6.00652  Sterimol/L: 16.5117 
 
 Surface and Volume Properties
  Accessible surface: 539.273  Positive charged surface: 381.697  Negative charged surface: 157.577  Volume: 266.875
  Hydrophobic surface: 345.153  Hydrophilic surface: 194.12
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.