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NCID-ZINC01599420

 MMsINC code: MMs02252707
Type: Neutral
Formula: C11H16O2
SMILES:   O(CCCC)c1ccccc1CO
InChI:   InChI=1/C11H16O2/c1-2-3-8-13-11-7-5-4-6-10(11)9-12/h4-7,12H,2-3,8-9H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.8495 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.247 g/mol  logS: -2.25048  SlogP: 2.6242  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.026781  Sterimol/B1: 2.37833  Sterimol/B2: 2.37848  Sterimol/B3: 4.35572
  Sterimol/B4: 5.28159  Sterimol/L: 13.3824 
 
 Surface and Volume Properties
  Accessible surface: 424.678  Positive charged surface: 305.737  Negative charged surface: 118.941  Volume: 195.625
  Hydrophobic surface: 345.879  Hydrophilic surface: 78.799
 
 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.