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CHEMBRIDGE-ZINC01158524

 MMsINC code: MMs00675080
Type: Neutral
Formula: C24H20N2O2
SMILES:   O=C/1N(C(=O)c2c(cccc2)\C\1=C\Nc1ccc(cc1)CC)c1ccccc1
InChI:   InChI=1/C24H20N2O2/c1-2-17-12-14-18(15-13-17)25-16-22-20-10-6-7-11-21(20)23(27)26(24(22)28)19-8-4-3-5-9-19/h3-16,25H,2H2,1H3/b22-16-

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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: 368.436 g/mol  logS: -6.62069  SlogP: 4.88897  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0361628  Sterimol/B1: 2.51008  Sterimol/B2: 4.5816  Sterimol/B3: 5.43836
  Sterimol/B4: 7.7452  Sterimol/L: 17.2496 
 
 Surface and Volume Properties
  Accessible surface: 643.229  Positive charged surface: 351.147  Negative charged surface: 292.082  Volume: 364.125
  Hydrophobic surface: 567.747  Hydrophilic surface: 75.482
 
 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


MMs00675081
CHEMBRIDGE-ZINC01158524