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MAYBRIDGE-ZINC04324565

 MMsINC code: MMs02166679
Type: Neutral
Formula: C26H32N4O
SMILES:   O=C(Nc1ccc(cc1C)CCCC)N1CCN(CC1)c1cc(nc2c1cccc2)C
InChI:   InChI=1/C26H32N4O/c1-4-5-8-21-11-12-23(19(2)17-21)28-26(31)30-15-13-29(14-16-30)25-18-20(3)27-24-10-7-6-9-22(24)25/h6-7,9-12,17-18H,4-5,8,13-16H2,1-3H3,(H,28,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=152.37 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.569 g/mol  logS: -6.27477  SlogP: 5.54831  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0495074  Sterimol/B1: 3.08216  Sterimol/B2: 4.41641  Sterimol/B3: 5.9678
  Sterimol/B4: 6.42347  Sterimol/L: 23.1599 
 
 Surface and Volume Properties
  Accessible surface: 758.283  Positive charged surface: 527.529  Negative charged surface: 227.109  Volume: 429
  Hydrophobic surface: 678.143  Hydrophilic surface: 80.14
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.