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PUBCHEM-ZINC01491423

 MMsINC code: MMs02812254
Type: Neutral
Formula: C29H27N3O3
SMILES:   O(Cc1ccccc1)C(=O)NCc1ccccc1-c1ccccc1C(=O)NCCc1ncccc1
InChI:   InChI=1/C29H27N3O3/c33-28(31-19-17-24-13-8-9-18-30-24)27-16-7-6-15-26(27)25-14-5-4-12-23(25)20-32-29(34)35-21-22-10-2-1-3-11-22/h1-16,18H,17,19-21H2,(H,31,33)(H,32,34)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.662 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 465.553 g/mol  logS: -6.67239  SlogP: 5.68027  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151851  Sterimol/B1: 2.82356  Sterimol/B2: 5.23243  Sterimol/B3: 6.04117
  Sterimol/B4: 9.5014  Sterimol/L: 21.6031 
 
 Surface and Volume Properties
  Accessible surface: 814.234  Positive charged surface: 505.881  Negative charged surface: 306.719  Volume: 460.75
  Hydrophobic surface: 732.834  Hydrophilic surface: 81.4
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.