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ACROSORGANICS-ZINC02583447

 MMsINC code: MMs00014815
Type: Neutral
Formula: C13H24N2O4
SMILES:   O(C(C)(C)C)C(=O)NC(CC1CCNCC1)C(O)=O
InChI:   InChI=1/C13H24N2O4/c1-13(2,3)19-12(18)15-10(11(16)17)8-9-4-6-14-7-5-9/h9-10,14H,4-8H2,1-3H3,(H,15,18)(H,16,17)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=28.8421 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.345 g/mol  logS: -1.41482  SlogP: 1.354  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116356  Sterimol/B1: 2.39274  Sterimol/B2: 2.77226  Sterimol/B3: 4.61161
  Sterimol/B4: 7.78859  Sterimol/L: 13.5789 
 
 Surface and Volume Properties
  Accessible surface: 523.409  Positive charged surface: 388.133  Negative charged surface: 135.277  Volume: 271
  Hydrophobic surface: 322.376  Hydrophilic surface: 201.033
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.