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AURORAFEINCHEMIE-ZINC00409991

 MMsINC code: MMs00446829
Type: Neutral
Formula: C11H18O4
SMILES:   O(C(=O)C(C(OC)=O)C1CCCCC1)C
InChI:   InChI=1/C11H18O4/c1-14-10(12)9(11(13)15-2)8-6-4-3-5-7-8/h8-9H,3-7H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.8451 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.261 g/mol  logS: -2.96463  SlogP: 1.5289  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0779838  Sterimol/B1: 2.35787  Sterimol/B2: 2.82364  Sterimol/B3: 3.0839
  Sterimol/B4: 7.65496  Sterimol/L: 11.9539 
 
 Surface and Volume Properties
  Accessible surface: 434.208  Positive charged surface: 362.271  Negative charged surface: 71.9367  Volume: 211.5
  Hydrophobic surface: 384.569  Hydrophilic surface: 49.639
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: no related molecules available.