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COMGENEX-ZINC06773448

 MMsINC code: MMs01205362
Type: Neutral
Formula: C23H27N3O2
SMILES:   O(C)c1ccc(-n2nc(CC)c(C(=O)N(Cc3ccccc3)C)c2CC)cc1
InChI:   InChI=1/C23H27N3O2/c1-5-20-22(23(27)25(3)16-17-10-8-7-9-11-17)21(6-2)26(24-20)18-12-14-19(28-4)15-13-18/h7-15H,5-6,16H2,1-4H3

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Potential Energy
Epot(MMFF94)=105.388 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.488 g/mol  logS: -4.42753  SlogP: 4.54424  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0965368  Sterimol/B1: 2.47878  Sterimol/B2: 3.27156  Sterimol/B3: 4.25936
  Sterimol/B4: 10.1834  Sterimol/L: 17.0285 
 
 Surface and Volume Properties
  Accessible surface: 642.433  Positive charged surface: 443.889  Negative charged surface: 198.544  Volume: 387.375
  Hydrophobic surface: 555.454  Hydrophilic surface: 86.979
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: no related molecules available.