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ACROSORGANICS-ZINC01674472

 MMsINC code: MMs00010606
Type: Neutral
Formula: C10H8O
SMILES:   O1C2C=CC1c1c2cccc1
InChI:   InChI=1/C10H8O/c1-2-4-8-7(3-1)9-5-6-10(8)11-9/h1-6,9-10H/t9-,10+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.9354 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 144.173 g/mol  logS: -2.27814  SlogP: 2.5598  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136531  Sterimol/B1: 2.72036  Sterimol/B2: 3.25495  Sterimol/B3: 3.4788
  Sterimol/B4: 4.65249  Sterimol/L: 9.07319 
 
 Surface and Volume Properties
  Accessible surface: 324.097  Positive charged surface: 183.05  Negative charged surface: 141.048  Volume: 145.125
  Hydrophobic surface: 250.068  Hydrophilic surface: 74.029
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.