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NCID-ZINC01717010

 MMsINC code: MMs02342558
Type: Neutral
Formula: C27H19NO3
SMILES:   OC(=O)c1ccccc1-c1ccccc1C(=O)Nc1cc-2c(Cc3c-2cccc3)cc1
InChI:   InChI=1/C27H19NO3/c29-26(23-11-5-3-9-21(23)22-10-4-6-12-24(22)27(30)31)28-19-14-13-18-15-17-7-1-2-8-20(17)25(18)16-19/h1-14,16H,15H2,(H,28,29)(H,30,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=150.361 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.453 g/mol  logS: -8.64791  SlogP: 5.87527  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119264  Sterimol/B1: 2.63445  Sterimol/B2: 4.23487  Sterimol/B3: 6.15744
  Sterimol/B4: 7.4465  Sterimol/L: 16.6735 
 
 Surface and Volume Properties
  Accessible surface: 655.042  Positive charged surface: 374.566  Negative charged surface: 268.131  Volume: 386.375
  Hydrophobic surface: 573.904  Hydrophilic surface: 81.138
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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: 0
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Ions/Tautomers related molecules


MMs02342559
NCID-ZINC01717010