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CHEMDIV-ZINC02757004

 MMsINC code: MMs00887605
Type: Neutral
Formula: C23H24N2O4
SMILES:   O1CCCC1CNC(=O)c1cc(nc2c1cccc2)-c1ccc(OC)cc1OC
InChI:   InChI=1/C23H24N2O4/c1-27-15-9-10-18(22(12-15)28-2)21-13-19(17-7-3-4-8-20(17)25-21)23(26)24-14-16-6-5-11-29-16/h3-4,7-10,12-13,16H,5-6,11,14H2,1-2H3,(H,24,26)/t16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=129.951 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.455 g/mol  logS: -5.31051  SlogP: 3.8278  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0251488  Sterimol/B1: 2.33021  Sterimol/B2: 2.76291  Sterimol/B3: 3.87154
  Sterimol/B4: 13.1715  Sterimol/L: 16.7296 
 
 Surface and Volume Properties
  Accessible surface: 686.397  Positive charged surface: 488.423  Negative charged surface: 186.903  Volume: 380.75
  Hydrophobic surface: 613.199  Hydrophilic surface: 73.198
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.