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ACROSORGANICS-ZINC01700020

 MMsINC code: MMs00011351
Type: Neutral
Formula: C13H24O4
SMILES:   OC(=O)CCCCCCCCCCCC(O)=O
InChI:   InChI=1/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17)

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Potential Energy
Epot(MMFF94)=-8.26247 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.331 g/mol  logS: -3.35614  SlogP: 3.4467  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0163593  Sterimol/B1: 2.37494  Sterimol/B2: 2.37577  Sterimol/B3: 2.93563
  Sterimol/B4: 2.99864  Sterimol/L: 21.5242 
 
 Surface and Volume Properties
  Accessible surface: 544.901  Positive charged surface: 403.269  Negative charged surface: 141.631  Volume: 257.875
  Hydrophobic surface: 348.297  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


MMs00011352
ACROSORGANICS-ZINC01700020