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SIAL-ZINC04569505

 MMsINC code: MMs03923819
Type: Neutral
Formula: C10H16O4
SMILES:   OC(=O)C1CCCCCCC1C(O)=O
InChI:   InChI=1/C10H16O4/c11-9(12)7-5-3-1-2-4-6-8(7)10(13)14/h7-8H,1-6H2,(H,11,12)(H,13,14)/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=64.5422 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.234 g/mol  logS: -1.70844  SlogP: 1.7422  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.28557  Sterimol/B1: 3.18058  Sterimol/B2: 3.4153  Sterimol/B3: 3.57097
  Sterimol/B4: 4.98638  Sterimol/L: 10.0546 
 
 Surface and Volume Properties
  Accessible surface: 373.143  Positive charged surface: 250.413  Negative charged surface: 122.73  Volume: 184.75
  Hydrophobic surface: 219.71  Hydrophilic surface: 153.433
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03923820
SIAL-ZINC04569505