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NANOSIN-ZINC01510889

 MMsINC code: MMs02196779
Type: Neutral
Formula: C15H13FO2
SMILES:   Fc1cc(ccc1C)Cc1ccccc1C(O)=O
InChI:   InChI=1/C15H13FO2/c1-10-6-7-11(9-14(10)16)8-12-4-2-3-5-13(12)15(17)18/h2-7,9H,8H2,1H3,(H,17,18)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.5544 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.265 g/mol  logS: -3.92611  SlogP: 3.42309  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0890719  Sterimol/B1: 3.66937  Sterimol/B2: 3.83138  Sterimol/B3: 4.46171
  Sterimol/B4: 4.56781  Sterimol/L: 13.6867 
 
 Surface and Volume Properties
  Accessible surface: 454.606  Positive charged surface: 257.953  Negative charged surface: 196.653  Volume: 232.625
  Hydrophobic surface: 369.528  Hydrophilic surface: 85.078
 
 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


MMs02196780
NANOSIN-ZINC01510889