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ACROSORGANICS-ZINC01635710

 MMsINC code: MMs00010024
Type: Neutral
Formula: C11H14O
SMILES:   O=C(CCC)c1ccc(cc1)C
InChI:   InChI=1/C11H14O/c1-3-4-11(12)10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.5988 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.232 g/mol  logS: -2.88806  SlogP: 2.97782  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0227517  Sterimol/B1: 2.37523  Sterimol/B2: 2.51257  Sterimol/B3: 3.05305
  Sterimol/B4: 4.67665  Sterimol/L: 13.6123 
 
 Surface and Volume Properties
  Accessible surface: 389.838  Positive charged surface: 244.823  Negative charged surface: 145.015  Volume: 180.875
  Hydrophobic surface: 335.589  Hydrophilic surface: 54.249
 
 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.