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ACROSORGANICS-ZINC00056436

 MMsINC code: MMs00003114
Type: Neutral
Formula: C10H17NO4
SMILES:   O(C(C)(C)C)C(=O)N1CCCC1C(O)=O
InChI:   InChI=1/C10H17NO4/c1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=32.414 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.249 g/mol  logS: -1.26379  SlogP: 1.4705  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124167  Sterimol/B1: 2.54553  Sterimol/B2: 3.63535  Sterimol/B3: 4.28577
  Sterimol/B4: 5.22321  Sterimol/L: 11.8021 
 
 Surface and Volume Properties
  Accessible surface: 431.994  Positive charged surface: 306.128  Negative charged surface: 125.866  Volume: 206.75
  Hydrophobic surface: 282.6  Hydrophilic surface: 149.394
 
 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


MMs00003115
ACROSORGANICS-ZINC00056436