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CHEMDIV-ZINC03670243

 MMsINC code: MMs00916463
Type: Neutral
Formula: C24H23N3O3
SMILES:   OC1(N(c2ccc(cc2)CC)C(=O)Nc2c1cccc2)C(=O)NCc1ccccc1
InChI:   InChI=1/C24H23N3O3/c1-2-17-12-14-19(15-13-17)27-23(29)26-21-11-7-6-10-20(21)24(27,30)22(28)25-16-18-8-4-3-5-9-18/h3-15,30H,2,16H2,1H3,(H,25,28)(H,26,29)/t24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.0475 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.466 g/mol  logS: -6.05149  SlogP: 4.34047  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.160934  Sterimol/B1: 3.11759  Sterimol/B2: 5.39167  Sterimol/B3: 5.77312
  Sterimol/B4: 7.12721  Sterimol/L: 15.6694 
 
 Surface and Volume Properties
  Accessible surface: 660.573  Positive charged surface: 380.59  Negative charged surface: 279.983  Volume: 385.5
  Hydrophobic surface: 523.022  Hydrophilic surface: 137.551
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.