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ENAMINE-ZINC03213081

 MMsINC code: MMs01308320
Type: Neutral
Formula: C23H18N2O2
SMILES:   O=C/1N(C(=O)c2c(cccc2)\C\1=C\Nc1ccc(cc1)C)c1ccccc1
InChI:   InChI=1/C23H18N2O2/c1-16-11-13-17(14-12-16)24-15-21-19-9-5-6-10-20(19)22(26)25(23(21)27)18-7-3-2-4-8-18/h2-15,24H,1H3/b21-15-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=126.886 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.409 g/mol  logS: -6.10547  SlogP: 4.63502  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0314109  Sterimol/B1: 3.31845  Sterimol/B2: 3.65928  Sterimol/B3: 4.93865
  Sterimol/B4: 8.1516  Sterimol/L: 16.2225 
 
 Surface and Volume Properties
  Accessible surface: 625.817  Positive charged surface: 325.172  Negative charged surface: 300.646  Volume: 347.125
  Hydrophobic surface: 573.496  Hydrophilic surface: 52.321
 
 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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Ions/Tautomers related molecules


MMs01308321
ENAMINE-ZINC03213081