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ASINEX-ZINC00260470

 MMsINC code: MMs00101728
Type: Neutral
Formula: C10H17NO4
SMILES:   O(CC(C)C)C(=O)N1CCCC1C(O)=O
InChI:   InChI=1/C10H17NO4/c1-7(2)6-15-10(14)11-5-3-4-8(11)9(12)13/h7-8H,3-6H2,1-2H3,(H,12,13)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=28.8026 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.249 g/mol  logS: -1.01291  SlogP: 1.328  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0576141  Sterimol/B1: 2.44174  Sterimol/B2: 3.52878  Sterimol/B3: 4.06041
  Sterimol/B4: 4.80366  Sterimol/L: 13.1276 
 
 Surface and Volume Properties
  Accessible surface: 440.659  Positive charged surface: 324.837  Negative charged surface: 115.822  Volume: 208.375
  Hydrophobic surface: 291.315  Hydrophilic surface: 149.344
 
 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


MMs00101729
ASINEX-ZINC00260470