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NCID-ZINC01654155

 MMsINC code: MMs02292997
Type: Neutral
Formula: C10H14O2
SMILES:   Oc1ccc(O)cc1CCCC
InChI:   InChI=1/C10H14O2/c1-2-3-4-8-7-9(11)5-6-10(8)12/h5-7,11-12H,2-4H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.61 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.22 g/mol  logS: -2.36711  SlogP: 2.44037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0951601  Sterimol/B1: 2.22252  Sterimol/B2: 3.64832  Sterimol/B3: 4.03562
  Sterimol/B4: 4.65823  Sterimol/L: 12.3969 
 
 Surface and Volume Properties
  Accessible surface: 385.165  Positive charged surface: 263.61  Negative charged surface: 121.555  Volume: 175
  Hydrophobic surface: 269.38  Hydrophilic surface: 115.785
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.