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CHEMDIV-ZINC04405507

 MMsINC code: MMs00935193
Type: Neutral
Formula: C23H30N2O5
SMILES:   O(C)c1cc(ccc1OC)CCNC(=O)C(=O)Nc1ccc(OCCCCC)cc1
InChI:   InChI=1/C23H30N2O5/c1-4-5-6-15-30-19-10-8-18(9-11-19)25-23(27)22(26)24-14-13-17-7-12-20(28-2)21(16-17)29-3/h7-12,16H,4-6,13-15H2,1-3H3,(H,24,26)(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=117.315 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.502 g/mol  logS: -5.29947  SlogP: 3.57017  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0157982  Sterimol/B1: 3.14083  Sterimol/B2: 3.63332  Sterimol/B3: 4.73553
  Sterimol/B4: 4.88193  Sterimol/L: 27.8387 
 
 Surface and Volume Properties
  Accessible surface: 793.934  Positive charged surface: 583.852  Negative charged surface: 210.082  Volume: 413.25
  Hydrophobic surface: 649.204  Hydrophilic surface: 144.73
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.