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ACROSORGANICS-ZINC02572886

 MMsINC code: MMs00014708
Type: Neutral
Formula: C11H18O4
SMILES:   O(C(=O)C(CC(O)=O)C1CCCCC1)C
InChI:   InChI=1/C11H18O4/c1-15-11(14)9(7-10(12)13)8-5-3-2-4-6-8/h8-9H,2-7H2,1H3,(H,12,13)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=31.9284 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.261 g/mol  logS: -2.43422  SlogP: 1.8306  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.081873  Sterimol/B1: 2.37366  Sterimol/B2: 2.82741  Sterimol/B3: 3.09077
  Sterimol/B4: 6.78172  Sterimol/L: 12.2341 
 
 Surface and Volume Properties
  Accessible surface: 427.079  Positive charged surface: 333.76  Negative charged surface: 93.3189  Volume: 208.5
  Hydrophobic surface: 322.697  Hydrophilic surface: 104.382
 
 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


MMs00014709
ACROSORGANICS-ZINC02572886