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CHEMSTAR-ZINC01845667

 MMsINC code: MMs01079379
Type: Neutral
Formula: C11H20O4
SMILES:   O(C(=O)CCCCCCCCC(O)=O)C
InChI:   InChI=1/C11H20O4/c1-15-11(14)9-7-5-3-2-4-6-8-10(12)13/h2-9H2,1H3,(H,12,13)

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Potential Energy
Epot(MMFF94)=2.08414 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.277 g/mol  logS: -2.22281  SlogP: 2.3648  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0197349  Sterimol/B1: 2.37517  Sterimol/B2: 2.37548  Sterimol/B3: 2.74893
  Sterimol/B4: 3.38289  Sterimol/L: 19.2678 
 
 Surface and Volume Properties
  Accessible surface: 495.404  Positive charged surface: 383.129  Negative charged surface: 112.275  Volume: 223.25
  Hydrophobic surface: 351.137  Hydrophilic surface: 144.267
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs01079380
CHEMSTAR-ZINC01845667