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COMGENEX-ZINC06689035

 MMsINC code: MMs01184116
Type: Neutral
Formula: C24H26FN3O
SMILES:   Fc1ccc(cc1)C(=O)N(Cc1nccn1Cc1c(cc(cc1C)C)C)C1CC1
InChI:   InChI=1/C24H26FN3O/c1-16-12-17(2)22(18(3)13-16)14-27-11-10-26-23(27)15-28(21-8-9-21)24(29)19-4-6-20(25)7-5-19/h4-7,10-13,21H,8-9,14-15H2,1-3H3

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Potential Energy
Epot(MMFF94)=132.701 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.49 g/mol  logS: -5.55999  SlogP: 5.33336  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.232082  Sterimol/B1: 3.45373  Sterimol/B2: 5.48861  Sterimol/B3: 5.54142
  Sterimol/B4: 6.98668  Sterimol/L: 14.6393 
 
 Surface and Volume Properties
  Accessible surface: 631.224  Positive charged surface: 391.212  Negative charged surface: 240.013  Volume: 392.75
  Hydrophobic surface: 560.421  Hydrophilic surface: 70.803
 
 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.