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ACROSORGANICS-ZINC00156783

 MMsINC code: MMs00005488
Type: Neutral
Formula: C10H16O4
SMILES:   OC(=O)C(CC1CCCCC1)C(O)=O
InChI:   InChI=1/C10H16O4/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h7-8H,1-6H2,(H,11,12)(H,13,14)

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Potential Energy
Epot(MMFF94)=6.99716 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.234 g/mol  logS: -2.65519  SlogP: 1.7422  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.177407  Sterimol/B1: 2.89655  Sterimol/B2: 3.39239  Sterimol/B3: 3.94444
  Sterimol/B4: 4.13565  Sterimol/L: 12.1462 
 
 Surface and Volume Properties
  Accessible surface: 391.485  Positive charged surface: 275.568  Negative charged surface: 115.916  Volume: 188.125
  Hydrophobic surface: 224.716  Hydrophilic surface: 166.769
 
 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


MMs00005489
ACROSORGANICS-ZINC00156783