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PUBCHEM-ZINC06440129

 MMsINC code: MMs03730729
Type: Neutral
Formula: C13H24N2O3
SMILES:   OC(=O)C(NC(=O)N1CCC(CC1)C)C(CC)C
InChI:   InChI=1/C13H24N2O3/c1-4-10(3)11(12(16)17)14-13(18)15-7-5-9(2)6-8-15/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)/t10-,11-/m1/s1

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Potential Energy
Epot(MMFF94)=24.7292 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.346 g/mol  logS: -2.00952  SlogP: 1.9272  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.083409  Sterimol/B1: 2.19152  Sterimol/B2: 2.42604  Sterimol/B3: 4.4317
  Sterimol/B4: 5.77221  Sterimol/L: 15.093 
 
 Surface and Volume Properties
  Accessible surface: 499.341  Positive charged surface: 370.239  Negative charged surface: 129.102  Volume: 261.75
  Hydrophobic surface: 338.445  Hydrophilic surface: 160.896
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03730730
PUBCHEM-ZINC06440129