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ACROSORGANICS-ZINC00154881

 MMsINC code: MMs00005012
Type: Neutral
Formula: C14H10O2
SMILES:   OC(=O)C1c2c(-c3c1cccc3)cccc2
InChI:   InChI=1/C14H10O2/c15-14(16)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H,(H,15,16)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.3764 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.232 g/mol  logS: -3.83909  SlogP: 2.8835  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0521564  Sterimol/B1: 2.92298  Sterimol/B2: 3.07029  Sterimol/B3: 3.15098
  Sterimol/B4: 6.63099  Sterimol/L: 11.9954 
 
 Surface and Volume Properties
  Accessible surface: 402.621  Positive charged surface: 212.55  Negative charged surface: 179.206  Volume: 203
  Hydrophobic surface: 320.908  Hydrophilic surface: 81.713
 
 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


MMs00005013
ACROSORGANICS-ZINC00154881