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CHEMBLOCK-ZINC01056072

 MMsINC code: MMs00511239
Type: Neutral
Formula: C25H26N2O3
SMILES:   O(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(cc1C)C
InChI:   InChI=1/C25H26N2O3/c1-18-13-14-22(19(2)15-18)26-24(28)23(16-20-9-5-3-6-10-20)27-25(29)30-17-21-11-7-4-8-12-21/h3-15,23H,16-17H2,1-2H3,(H,26,28)(H,27,29)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.9931 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.494 g/mol  logS: -6.06802  SlogP: 5.04601  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0384298  Sterimol/B1: 3.20257  Sterimol/B2: 3.35728  Sterimol/B3: 3.7477
  Sterimol/B4: 9.30509  Sterimol/L: 19.5329 
 
 Surface and Volume Properties
  Accessible surface: 709.785  Positive charged surface: 420.214  Negative charged surface: 289.572  Volume: 405.125
  Hydrophobic surface: 636.411  Hydrophilic surface: 73.374
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.