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PUBCHEM-ZINC05997181

 MMsINC code: MMs03481185
Type: Neutral
Formula: C10H18O3
SMILES:   O(C(OC)=O)C1CCCCCCC1
InChI:   InChI=1/C10H18O3/c1-12-10(11)13-9-7-5-3-2-4-6-8-9/h9H,2-8H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.3958 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.251 g/mol  logS: -2.57711  SlogP: 2.8823  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.207834  Sterimol/B1: 3.23925  Sterimol/B2: 4.05414  Sterimol/B3: 4.21295
  Sterimol/B4: 4.42549  Sterimol/L: 12.0856 
 
 Surface and Volume Properties
  Accessible surface: 395.246  Positive charged surface: 303.528  Negative charged surface: 91.7171  Volume: 191
  Hydrophobic surface: 344.742  Hydrophilic surface: 50.504
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.