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ACROSORGANICS-ZINC01579886

 MMsINC code: MMs00009493
Type: Neutral
Formula: C10H19NO4
SMILES:   O(C(C)(C)C)C(=O)NC(CCC)C(O)=O
InChI:   InChI=1/C10H19NO4/c1-5-6-7(8(12)13)11-9(14)15-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=20.5995 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.265 g/mol  logS: -1.8616  SlogP: 1.7644  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0881203  Sterimol/B1: 2.52305  Sterimol/B2: 3.36823  Sterimol/B3: 3.49856
  Sterimol/B4: 7.24493  Sterimol/L: 13.1212 
 
 Surface and Volume Properties
  Accessible surface: 457.829  Positive charged surface: 315.099  Negative charged surface: 142.73  Volume: 216.875
  Hydrophobic surface: 262.969  Hydrophilic surface: 194.86
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00009494
ACROSORGANICS-ZINC01579886