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MAYBRIDGE-ZINC01033509

 MMsINC code: MMs02150320
Type: Neutral
Formula: C25H27N3O2
SMILES:   O(Cc1ccccc1)c1ccc(NC(=O)Nc2ccc(N3CCCCC3)cc2)cc1
InChI:   InChI=1/C25H27N3O2/c29-25(26-21-9-13-23(14-10-21)28-17-5-2-6-18-28)27-22-11-15-24(16-12-22)30-19-20-7-3-1-4-8-20/h1,3-4,7-16H,2,5-6,17-19H2,(H2,26,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=145.696 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.51 g/mol  logS: -5.75189  SlogP: 6.1663  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0169642  Sterimol/B1: 2.98155  Sterimol/B2: 3.0418  Sterimol/B3: 3.51225
  Sterimol/B4: 6.9591  Sterimol/L: 23.6156 
 
 Surface and Volume Properties
  Accessible surface: 734.247  Positive charged surface: 480.24  Negative charged surface: 254.007  Volume: 403.125
  Hydrophobic surface: 655.9  Hydrophilic surface: 78.347
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.