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CHEMDIV-ZINC04910616

 MMsINC code: MMs00964421
Type: Neutral
Formula: C26H25N3O2
SMILES:   O(CC)c1ccc(Nc2nc3c(cccc3)c(c2)C(=O)NCc2ccc(cc2)C)cc1
InChI:   InChI=1/C26H25N3O2/c1-3-31-21-14-12-20(13-15-21)28-25-16-23(22-6-4-5-7-24(22)29-25)26(30)27-17-19-10-8-18(2)9-11-19/h4-16H,3,17H2,1-2H3,(H,27,30)(H,28,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.747 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 411.505 g/mol  logS: -6.67054  SlogP: 5.88192  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0269847  Sterimol/B1: 3.61635  Sterimol/B2: 3.66304  Sterimol/B3: 3.73289
  Sterimol/B4: 10.3714  Sterimol/L: 20.9521 
 
 Surface and Volume Properties
  Accessible surface: 746.312  Positive charged surface: 459.149  Negative charged surface: 281.756  Volume: 412.375
  Hydrophobic surface: 638.275  Hydrophilic surface: 108.037
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.