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CHEMDIV-ZINC00267010

 MMsINC code: MMs00848491
Type: Neutral
Formula: C23H17NO2
SMILES:   OC(=O)c1ccc(-n2c(ccc2-c2ccccc2)-c2ccccc2)cc1
InChI:   InChI=1/C23H17NO2/c25-23(26)19-11-13-20(14-12-19)24-21(17-7-3-1-4-8-17)15-16-22(24)18-9-5-2-6-10-18/h1-16H,(H,25,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=120.914 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.394 g/mol  logS: -6.30573  SlogP: 5.5095  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.073433  Sterimol/B1: 3.38912  Sterimol/B2: 3.61327  Sterimol/B3: 4.89823
  Sterimol/B4: 8.19583  Sterimol/L: 15.3051 
 
 Surface and Volume Properties
  Accessible surface: 574.85  Positive charged surface: 303.422  Negative charged surface: 271.429  Volume: 334.125
  Hydrophobic surface: 471.603  Hydrophilic surface: 103.247
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00848492
CHEMDIV-ZINC00267010