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PUBCHEM-ZINC00734198

MMsINC code: MMs02734123

Type: Neutral
Formula: C25H33NO4
SMILES:   O(C)c1cc(ccc1OC)CCN(C(=O)C1CCCCC1)Cc1ccc(OC)cc1
InChI:   InChI=1/C25H33NO4/c1-28-22-12-9-20(10-13-22)18-26(25(27)21-7-5-4-6-8-21)16-15-19-11-14-23(29-2)24(17-19)30-3/h9-14,17,21H,4-8,15-16,18H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=110.991 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 411.542 g/mol  logS: -5.26005  SlogP: 5.13037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113559  Sterimol/B1: 2.1043  Sterimol/B2: 4.4304  Sterimol/B3: 5.94641
  Sterimol/B4: 9.59428  Sterimol/L: 16.4921 
 
 Surface and Volume Properties
  Accessible surface: 699.572  Positive charged surface: 532.725  Negative charged surface: 166.847  Volume: 424.625
  Hydrophobic surface: 645.639  Hydrophilic surface: 53.933
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.