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AURORAFEINCHEMIE-ZINC05347714

 MMsINC code: MMs00474466
Type: Neutral
Formula: C13H24N2O3
SMILES:   O(C(=O)C(NC(=O)NC1CCCC1)C(CC)C)C
InChI:   InChI=1/C13H24N2O3/c1-4-9(2)11(12(16)18-3)15-13(17)14-10-7-5-6-8-10/h9-11H,4-8H2,1-3H3,(H2,14,15,17)/t9-,11+/m0/s1

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Potential Energy
Epot(MMFF94)=17.3856 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.346 g/mol  logS: -2.21439  SlogP: 1.8159  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0741784  Sterimol/B1: 2.50191  Sterimol/B2: 2.89923  Sterimol/B3: 3.73982
  Sterimol/B4: 8.77594  Sterimol/L: 14.0425 
 
 Surface and Volume Properties
  Accessible surface: 526.031  Positive charged surface: 399.761  Negative charged surface: 126.27  Volume: 265.5
  Hydrophobic surface: 416.439  Hydrophilic surface: 109.592
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.