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CHEMDIV-ZINC02937334

 MMsINC code: MMs00894040
Type: Neutral
Formula: C23H21NO6
SMILES:   o1cccc1C(=O)NC(Cc1ccccc1)C(OCC(=O)c1ccc(OC)cc1)=O
InChI:   InChI=1/C23H21NO6/c1-28-18-11-9-17(10-12-18)20(25)15-30-23(27)19(14-16-6-3-2-4-7-16)24-22(26)21-8-5-13-29-21/h2-13,19H,14-15H2,1H3,(H,24,26)/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=108.902 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.422 g/mol  logS: -5.66975  SlogP: 3.05537  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0202526  Sterimol/B1: 3.0963  Sterimol/B2: 3.30398  Sterimol/B3: 5.01286
  Sterimol/B4: 7.21419  Sterimol/L: 20.5365 
 
 Surface and Volume Properties
  Accessible surface: 692.957  Positive charged surface: 415.253  Negative charged surface: 277.704  Volume: 384.125
  Hydrophobic surface: 578.697  Hydrophilic surface: 114.26
 
 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.