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PUBCHEM-ZINC00735454

 MMsINC code: MMs02734387
Type: Neutral
Formula: C28H29N3O3
SMILES:   O(C)c1ccccc1C(=O)Nc1cc(C(=O)N2CCCC2)c(N2CCc3c(C2)cccc3)cc1
InChI:   InChI=1/C28H29N3O3/c1-34-26-11-5-4-10-23(26)27(32)29-22-12-13-25(24(18-22)28(33)30-15-6-7-16-30)31-17-14-20-8-2-3-9-21(20)19-31/h2-5,8-13,18H,6-7,14-17,19H2,1H3,(H,29,32)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=202.116 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 455.558 g/mol  logS: -5.87695  SlogP: 5.01257  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0595568  Sterimol/B1: 2.43513  Sterimol/B2: 3.10961  Sterimol/B3: 5.01858
  Sterimol/B4: 10.8178  Sterimol/L: 20.1081 
 
 Surface and Volume Properties
  Accessible surface: 766.606  Positive charged surface: 534.098  Negative charged surface: 232.508  Volume: 446.75
  Hydrophobic surface: 703.685  Hydrophilic surface: 62.921
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.