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ENAMINE-ZINC03261169

 MMsINC code: MMs01336841
Type: Tautomer
Formula: C24H20N2O2
SMILES:   O=C/1N(C(=O)c2c(cccc2)\C\1=C/Nc1ccc(cc1)C)c1cc(ccc1)C
InChI:   InChI=1/C24H20N2O2/c1-16-10-12-18(13-11-16)25-15-22-20-8-3-4-9-21(20)23(27)26(24(22)28)19-7-5-6-17(2)14-19/h3-15,25H,1-2H3/b22-15+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=163.423 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.436 g/mol  logS: -6.57939  SlogP: 4.94344  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0483005  Sterimol/B1: 2.57148  Sterimol/B2: 3.93863  Sterimol/B3: 4.0579
  Sterimol/B4: 9.10274  Sterimol/L: 18.3568 
 
 Surface and Volume Properties
  Accessible surface: 642.556  Positive charged surface: 348.04  Negative charged surface: 294.516  Volume: 361.75
  Hydrophobic surface: 581.196  Hydrophilic surface: 61.36
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Parent related molecule:


MMs01336840
ENAMINE-ZINC03261169