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NANOSIN-ZINC01510889

 MMsINC code: MMs02196780
Type: Ionized
Formula: C15H12FO2-
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)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.4464 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.257 g/mol  logS: -4.18656  SlogP: 2.08839  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103181  Sterimol/B1: 3.42396  Sterimol/B2: 4.10212  Sterimol/B3: 4.25498
  Sterimol/B4: 5.1034  Sterimol/L: 13.5523 
 
 Surface and Volume Properties
  Accessible surface: 459.014  Positive charged surface: 230.633  Negative charged surface: 228.382  Volume: 233.125
  Hydrophobic surface: 378.857  Hydrophilic surface: 80.157
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  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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Parent related molecule:


MMs02196779
NANOSIN-ZINC01510889