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ACROSORGANICS-ZINC04284382

 MMsINC code: MMs00018050
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-/m0/s1

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Potential Energy
Epot(MMFF94)=27.7031 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: 0.116027  Sterimol/B1: 3.45586  Sterimol/B2: 3.91006  Sterimol/B3: 4.54961
  Sterimol/B4: 5.75611  Sterimol/L: 13.5805 
 
 Surface and Volume Properties
  Accessible surface: 523.64  Positive charged surface: 390.117  Negative charged surface: 133.523  Volume: 271
  Hydrophobic surface: 318.762  Hydrophilic surface: 204.878
 
 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.