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CHEMBLOCK-ZINC01426703

 MMsINC code: MMs00521340
Type: Neutral
Formula: C24H24N2O2
SMILES:   O=C(Nc1ccc(cc1)C(=O)NC(CCc1ccccc1)C)c1ccccc1
InChI:   InChI=1/C24H24N2O2/c1-18(12-13-19-8-4-2-5-9-19)25-23(27)21-14-16-22(17-15-21)26-24(28)20-10-6-3-7-11-20/h2-11,14-18H,12-13H2,1H3,(H,25,27)(H,26,28)/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.1645 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.468 g/mol  logS: -5.85935  SlogP: 4.68997  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0218199  Sterimol/B1: 2.23407  Sterimol/B2: 2.47954  Sterimol/B3: 4.37465
  Sterimol/B4: 8.68135  Sterimol/L: 21.692 
 
 Surface and Volume Properties
  Accessible surface: 694.2  Positive charged surface: 392.504  Negative charged surface: 301.696  Volume: 380.125
  Hydrophobic surface: 604.031  Hydrophilic surface: 90.169
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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: no related molecules available.