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ENAMINE-ZINC03379093

 MMsINC code: MMs01405753
Type: Neutral
Formula: C26H27NO4
SMILES:   O1CCCC1Cn1c(C)c(cc1C)C(=O)COc1ccc(cc1)C(=O)c1ccccc1
InChI:   InChI=1/C26H27NO4/c1-18-15-24(19(2)27(18)16-23-9-6-14-30-23)25(28)17-31-22-12-10-21(11-13-22)26(29)20-7-4-3-5-8-20/h3-5,7-8,10-13,15,23H,6,9,14,16-17H2,1-2H3/t23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=134.633 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.505 g/mol  logS: -5.26635  SlogP: 5.04304  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0261941  Sterimol/B1: 2.21551  Sterimol/B2: 2.62061  Sterimol/B3: 4.96236
  Sterimol/B4: 7.10019  Sterimol/L: 23.2878 
 
 Surface and Volume Properties
  Accessible surface: 732.344  Positive charged surface: 459.922  Negative charged surface: 272.422  Volume: 415.75
  Hydrophobic surface: 650.83  Hydrophilic surface: 81.514
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.