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ASINEX-ZINC00260469

 MMsINC code: MMs00101727
Type: Ionized
Formula: C10H16NO4-
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)/p-1/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=22.9456 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.241 g/mol  logS: -1.27336  SlogP: -0.0067  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0907194  Sterimol/B1: 2.62625  Sterimol/B2: 4.15912  Sterimol/B3: 4.34809
  Sterimol/B4: 4.37835  Sterimol/L: 13.012 
 
 Surface and Volume Properties
  Accessible surface: 436.721  Positive charged surface: 293.96  Negative charged surface: 142.761  Volume: 207.5
  Hydrophobic surface: 288.633  Hydrophilic surface: 148.088
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs00101726
ASINEX-ZINC00260469