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CHEMDIV-ZINC02559964

 MMsINC code: MMs00883251
Type: Neutral
Formula: C13H24N2O5
SMILES:   O(C(C)(C)C)C(=O)NC(C(C)C)C(=O)NCC(OC)=O
InChI:   InChI=1/C13H24N2O5/c1-8(2)10(11(17)14-7-9(16)19-6)15-12(18)20-13(3,4)5/h8,10H,7H2,1-6H3,(H,14,17)(H,15,18)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=53.9659 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.344 g/mol  logS: -2.13305  SlogP: 0.8249  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0658771  Sterimol/B1: 2.49886  Sterimol/B2: 2.56907  Sterimol/B3: 4.1509
  Sterimol/B4: 6.3288  Sterimol/L: 17.9155 
 
 Surface and Volume Properties
  Accessible surface: 551.946  Positive charged surface: 399.927  Negative charged surface: 152.019  Volume: 282.625
  Hydrophobic surface: 349.954  Hydrophilic surface: 201.992
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.