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NCID-ZINC01696781

 MMsINC code: MMs02327496
Type: Neutral
Formula: C10H20O3
SMILES:   O(C(=O)C)CCCCCCCCO
InChI:   InChI=1/C10H20O3/c1-10(12)13-9-7-5-3-2-4-6-8-11/h11H,2-9H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.43301 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.267 g/mol  logS: -1.64105  SlogP: 1.8824  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.023212  Sterimol/B1: 2.1141  Sterimol/B2: 2.37489  Sterimol/B3: 2.37565
  Sterimol/B4: 3.75525  Sterimol/L: 18.0375 
 
 Surface and Volume Properties
  Accessible surface: 465.961  Positive charged surface: 359.166  Negative charged surface: 106.795  Volume: 206.875
  Hydrophobic surface: 365.668  Hydrophilic surface: 100.293
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.