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NCID-ZINC01718740

 MMsINC code: MMs02344037
Type: Neutral
Formula: C23H17NO2
SMILES:   OC(=O)c1c(c([nH]c1-c1ccccc1)-c1ccccc1)-c1ccccc1
InChI:   InChI=1/C23H17NO2/c25-23(26)20-19(16-10-4-1-5-11-16)21(17-12-6-2-7-13-17)24-22(20)18-14-8-3-9-15-18/h1-15,24H,(H,25,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.9703 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.394 g/mol  logS: -7.01424  SlogP: 5.7139  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0962934  Sterimol/B1: 2.14253  Sterimol/B2: 3.44797  Sterimol/B3: 3.47892
  Sterimol/B4: 9.00103  Sterimol/L: 14.7951 
 
 Surface and Volume Properties
  Accessible surface: 589.019  Positive charged surface: 321.178  Negative charged surface: 267.841  Volume: 337.5
  Hydrophobic surface: 494.923  Hydrophilic surface: 94.096
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02344038
NCID-ZINC01718740