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ENAMINE-ZINC03263110

 MMsINC code: MMs01337909
Type: Neutral
Formula: C23H27NO5
SMILES:   O(C(=O)C(NC(OCc1ccccc1)=O)C(C)C)CC(=O)c1cc(C)c(cc1)C
InChI:   InChI=1/C23H27NO5/c1-15(2)21(24-23(27)29-13-18-8-6-5-7-9-18)22(26)28-14-20(25)19-11-10-16(3)17(4)12-19/h5-12,15,21H,13-14H2,1-4H3,(H,24,27)/t21-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.8227 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.471 g/mol  logS: -5.79384  SlogP: 4.24674  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0209315  Sterimol/B1: 2.92537  Sterimol/B2: 3.09294  Sterimol/B3: 3.82136
  Sterimol/B4: 7.61358  Sterimol/L: 22.3003 
 
 Surface and Volume Properties
  Accessible surface: 725.297  Positive charged surface: 442.056  Negative charged surface: 283.241  Volume: 394.375
  Hydrophobic surface: 580.034  Hydrophilic surface: 145.263
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.