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CHEMDIV-ZINC04791509

 MMsINC code: MMs00956204
Type: Neutral
Formula: C26H25N5O4
SMILES:   O(C)c1ccc(cc1)CN1C(=O)c2c(NC1=O)cc(cc2)C(=O)N1CCN(CC1)c1nccc
c1
InChI:   InChI=1/C26H25N5O4/c1-35-20-8-5-18(6-9-20)17-31-25(33)21-10-7-19(16-22(21)28-26(31)34)24(32)30-14-12-29(13-15-30)23-4-2-3-11-27-23/h2-11,16H,12-15,17H2,1H3,(H,28,34)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=142.911 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 471.517 g/mol  logS: -4.61404  SlogP: 3.5069  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0422676  Sterimol/B1: 3.52943  Sterimol/B2: 3.77379  Sterimol/B3: 4.42239
  Sterimol/B4: 6.43495  Sterimol/L: 23.0851 
 
 Surface and Volume Properties
  Accessible surface: 750.66  Positive charged surface: 520.819  Negative charged surface: 229.841  Volume: 439
  Hydrophobic surface: 596.374  Hydrophilic surface: 154.286
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: 0
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Ions/Tautomers related molecules: no related molecules available.