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CHEMDIV-ZINC04409574

 MMsINC code: MMs00935204
Type: Neutral
Formula: C27H23NO2
SMILES:   O=C1N(Cc2ccccc2)C(=O)C2C1C(C=CC2c1ccccc1)c1ccccc1
InChI:   InChI=1/C27H23NO2/c29-26-24-22(20-12-6-2-7-13-20)16-17-23(21-14-8-3-9-15-21)25(24)27(30)28(26)18-19-10-4-1-5-11-19/h1-17,22-25H,18H2/t22-,23+,24-,25-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.9275 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.486 g/mol  logS: -5.53665  SlogP: 5.1916  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.170923  Sterimol/B1: 4.19587  Sterimol/B2: 4.26679  Sterimol/B3: 6.05655
  Sterimol/B4: 7.84738  Sterimol/L: 14.544 
 
 Surface and Volume Properties
  Accessible surface: 642.09  Positive charged surface: 372.641  Negative charged surface: 269.449  Volume: 390.75
  Hydrophobic surface: 580.675  Hydrophilic surface: 61.415
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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: no related molecules available.