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ACROSORGANICS-ZINC01593115

 MMsINC code: MMs00009702
Type: Neutral
Formula: C11H20O4
SMILES:   OC(=O)CCCCCCCCCC(O)=O
InChI:   InChI=1/C11H20O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h1-9H2,(H,12,13)(H,14,15)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-8.19933 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.277 g/mol  logS: -2.3257  SlogP: 2.6665  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.021004  Sterimol/B1: 2.1144  Sterimol/B2: 2.37496  Sterimol/B3: 2.37578
  Sterimol/B4: 3.81972  Sterimol/L: 19.0258 
 
 Surface and Volume Properties
  Accessible surface: 484.563  Positive charged surface: 350.26  Negative charged surface: 134.303  Volume: 224.375
  Hydrophobic surface: 287.959  Hydrophilic surface: 196.604
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00009703
ACROSORGANICS-ZINC01593115