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NCID-ZINC01696019

 MMsINC code: MMs02326839
Type: Neutral
Formula: C11H24O2
SMILES:   O(CC(CCCC)CC)CC(O)C
InChI:   InChI=1/C11H24O2/c1-4-6-7-11(5-2)9-13-8-10(3)12/h10-12H,4-9H2,1-3H3/t10-,11+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.8501 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.311 g/mol  logS: -2.64948  SlogP: 2.6002  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0478037  Sterimol/B1: 2.73491  Sterimol/B2: 3.20145  Sterimol/B3: 3.38911
  Sterimol/B4: 4.86613  Sterimol/L: 15.796 
 
 Surface and Volume Properties
  Accessible surface: 464.016  Positive charged surface: 367.214  Negative charged surface: 96.802  Volume: 222.625
  Hydrophobic surface: 361.806  Hydrophilic surface: 102.21
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.