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PUBCHEM-ZINC04188171

 MMsINC code: MMs03097528
Type: Neutral
Formula: C23H29N3O3
SMILES:   O(CCCNC(=O)c1cc(NC(=O)Cc2ccccc2)ccc1N1CCCC1)C
InChI:   InChI=1/C23H29N3O3/c1-29-15-7-12-24-23(28)20-17-19(10-11-21(20)26-13-5-6-14-26)25-22(27)16-18-8-3-2-4-9-18/h2-4,8-11,17H,5-7,12-16H2,1H3,(H,24,28)(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=157.336 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.503 g/mol  logS: -4.38667  SlogP: 3.23427  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0503271  Sterimol/B1: 2.55569  Sterimol/B2: 3.64929  Sterimol/B3: 4.01287
  Sterimol/B4: 11.93  Sterimol/L: 20.479 
 
 Surface and Volume Properties
  Accessible surface: 739.935  Positive charged surface: 557.825  Negative charged surface: 182.111  Volume: 399.25
  Hydrophobic surface: 645.733  Hydrophilic surface: 94.202
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.