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FRINTON-ZINC01670361

 MMsINC code: MMs01727890
Type: Neutral
Formula: C10H14O
SMILES:   O(C)c1ccc(cc1)CCC
InChI:   InChI=1/C10H14O/c1-3-4-9-5-7-10(11-2)8-6-9/h5-8H,3-4H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.3203 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.221 g/mol  logS: -2.93962  SlogP: 2.64767  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0522083  Sterimol/B1: 2.43007  Sterimol/B2: 2.98459  Sterimol/B3: 3.1869
  Sterimol/B4: 4.49542  Sterimol/L: 13.0679 
 
 Surface and Volume Properties
  Accessible surface: 376.153  Positive charged surface: 267.104  Negative charged surface: 109.049  Volume: 170
  Hydrophobic surface: 342.712  Hydrophilic surface: 33.441
 
 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.