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PUBCHEM-ZINC02970673

 MMsINC code: MMs02969497
Type: Neutral
Formula: C23H25FN4O2
SMILES:   Fc1cc(ccc1)C(=O)Nc1n(ncc1C(=O)N(CCC)CCC)-c1ccccc1
InChI:   InChI=1/C23H25FN4O2/c1-3-13-27(14-4-2)23(30)20-16-25-28(19-11-6-5-7-12-19)21(20)26-22(29)17-9-8-10-18(24)15-17/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,26,29)

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Potential Energy
Epot(MMFF94)=130.579 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.477 g/mol  logS: -5.21312  SlogP: 4.5259  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.157049  Sterimol/B1: 2.35986  Sterimol/B2: 6.19962  Sterimol/B3: 6.8286
  Sterimol/B4: 6.97377  Sterimol/L: 16.4576 
 
 Surface and Volume Properties
  Accessible surface: 676.749  Positive charged surface: 401.007  Negative charged surface: 275.742  Volume: 395
  Hydrophobic surface: 585.292  Hydrophilic surface: 91.457
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.