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ENAMINE-ZINC05253299

 MMsINC code: MMs01601563
Type: Neutral
Formula: C23H29NO5
SMILES:   O(C)c1ccc(OC)cc1C(OCC(=O)NC(C)c1ccc(cc1)CC(C)C)=O
InChI:   InChI=1/C23H29NO5/c1-15(2)12-17-6-8-18(9-7-17)16(3)24-22(25)14-29-23(26)20-13-19(27-4)10-11-21(20)28-5/h6-11,13,15-16H,12,14H2,1-5H3,(H,24,25)/t16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=105.293 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 399.487 g/mol  logS: -6.15463  SlogP: 4.03197  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0398609  Sterimol/B1: 3.16555  Sterimol/B2: 3.93803  Sterimol/B3: 4.99564
  Sterimol/B4: 7.37783  Sterimol/L: 21.1914 
 
 Surface and Volume Properties
  Accessible surface: 745.656  Positive charged surface: 534.219  Negative charged surface: 211.438  Volume: 401.375
  Hydrophobic surface: 599.812  Hydrophilic surface: 145.844
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.