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ACROSORGANICS-ZINC00388681

 MMsINC code: MMs00007104
Type: Neutral
Formula: C14H10O2
SMILES:   OC(=O)c1c2Cc3c(-c2ccc1)cccc3
InChI:   InChI=1/C14H10O2/c15-14(16)12-7-3-6-11-10-5-2-1-4-9(10)8-13(11)12/h1-7H,8H2,(H,15,16)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.9084 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.232 g/mol  logS: -4.25154  SlogP: 2.95597  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0077655  Sterimol/B1: 2.37816  Sterimol/B2: 2.37995  Sterimol/B3: 3.39688
  Sterimol/B4: 5.51942  Sterimol/L: 12.5615 
 
 Surface and Volume Properties
  Accessible surface: 404.936  Positive charged surface: 219.779  Negative charged surface: 174.044  Volume: 202.875
  Hydrophobic surface: 317.04  Hydrophilic surface: 87.896
 
 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


MMs00007105
ACROSORGANICS-ZINC00388681