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ENAMINE-ZINC03288026

 MMsINC code: MMs01351606
Type: Neutral
Formula: C26H29NO4
SMILES:   O(Cc1ccccc1)c1ccccc1C(=O)NCCc1cc(OCC)c(OCC)cc1
InChI:   InChI=1/C26H29NO4/c1-3-29-24-15-14-20(18-25(24)30-4-2)16-17-27-26(28)22-12-8-9-13-23(22)31-19-21-10-6-5-7-11-21/h5-15,18H,3-4,16-17,19H2,1-2H3,(H,27,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=119.412 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.521 g/mol  logS: -5.93384  SlogP: 5.30187  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124381  Sterimol/B1: 2.50666  Sterimol/B2: 5.07357  Sterimol/B3: 8.26612
  Sterimol/B4: 8.98087  Sterimol/L: 18.4744 
 
 Surface and Volume Properties
  Accessible surface: 803.001  Positive charged surface: 526.15  Negative charged surface: 276.851  Volume: 427.625
  Hydrophobic surface: 702.047  Hydrophilic surface: 100.954
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.