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PUBCHEM-ZINC03041166

 MMsINC code: MMs02984722
Type: Neutral
Formula: C21H26N2O5
SMILES:   O(C)c1c(OC)cc(cc1OC)C(=O)NCCC(=O)NC(C)c1ccccc1
InChI:   InChI=1/C21H26N2O5/c1-14(15-8-6-5-7-9-15)23-19(24)10-11-22-21(25)16-12-17(26-2)20(28-4)18(13-16)27-3/h5-9,12-14H,10-11H2,1-4H3,(H,22,25)(H,23,24)/t14-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=93.54 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.448 g/mol  logS: -3.83175  SlogP: 2.8052  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0267685  Sterimol/B1: 2.10669  Sterimol/B2: 3.36941  Sterimol/B3: 5.27054
  Sterimol/B4: 7.4514  Sterimol/L: 20.7282 
 
 Surface and Volume Properties
  Accessible surface: 716.491  Positive charged surface: 522.753  Negative charged surface: 193.739  Volume: 377.125
  Hydrophobic surface: 596.385  Hydrophilic surface: 120.106
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.