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PUBCHEM-ZINC05649531

 MMsINC code: MMs03335596
Type: Neutral
Formula: C10H14O
SMILES:   Oc1ccc(cc1C)CCC
InChI:   InChI=1/C10H14O/c1-3-4-9-5-6-10(11)8(2)7-9/h5-7,11H,3-4H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.5689 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.221 g/mol  logS: -2.68776  SlogP: 2.65309  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0603647  Sterimol/B1: 2.45258  Sterimol/B2: 3.06566  Sterimol/B3: 3.6708
  Sterimol/B4: 4.71538  Sterimol/L: 11.5973 
 
 Surface and Volume Properties
  Accessible surface: 372.168  Positive charged surface: 251.783  Negative charged surface: 120.386  Volume: 167.875
  Hydrophobic surface: 304.327  Hydrophilic surface: 67.841
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.