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COMGENEX-ZINC06723815

 MMsINC code: MMs01194559
Type: Neutral
Formula: C24H28FN3O
SMILES:   Fc1cc(ccc1)C(=O)N(Cc1nccn1Cc1c(cc(cc1C)C)C)C(C)C
InChI:   InChI=1/C24H28FN3O/c1-16(2)28(24(29)20-7-6-8-21(25)13-20)15-23-26-9-10-27(23)14-22-18(4)11-17(3)12-19(22)5/h6-13,16H,14-15H2,1-5H3

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Potential Energy
Epot(MMFF94)=405.081 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.506 g/mol  logS: -5.66203  SlogP: 5.57936  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125948  Sterimol/B1: 3.65003  Sterimol/B2: 3.66662  Sterimol/B3: 4.65785
  Sterimol/B4: 6.88633  Sterimol/L: 15.6228 
 
 Surface and Volume Properties
  Accessible surface: 618.555  Positive charged surface: 390.824  Negative charged surface: 227.731  Volume: 387.75
  Hydrophobic surface: 541.306  Hydrophilic surface: 77.249
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.