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NCID-ZINC04577181

 MMsINC code: MMs02391488
Type: Neutral
Formula: C10H18O2
SMILES:   O(C(=O)C)C1CCCCCCC1
InChI:   InChI=1/C10H18O2/c1-9(11)12-10-7-5-3-2-4-6-8-10/h10H,2-8H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.3259 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.252 g/mol  logS: -2.50765  SlogP: 2.6624  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.240027  Sterimol/B1: 3.10036  Sterimol/B2: 3.95266  Sterimol/B3: 4.00547
  Sterimol/B4: 4.2691  Sterimol/L: 10.9423 
 
 Surface and Volume Properties
  Accessible surface: 374.079  Positive charged surface: 263.783  Negative charged surface: 110.296  Volume: 183.75
  Hydrophobic surface: 340.197  Hydrophilic surface: 33.882
 
 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.