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CHEMSTAR-ZINC02057822

 MMsINC code: MMs01079774
Type: Neutral
Formula: C23H24N2O6
SMILES:   O(CCOC(=O)C=1C(NC(=O)N(C)C=1C)c1ccc(cc1)C(OC)=O)c1ccccc1
InChI:   InChI=1/C23H24N2O6/c1-15-19(22(27)31-14-13-30-18-7-5-4-6-8-18)20(24-23(28)25(15)2)16-9-11-17(12-10-16)21(26)29-3/h4-12,20H,13-14H2,1-3H3,(H,24,28)/t20-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=90.1989 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.453 g/mol  logS: -4.63802  SlogP: 3.161  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141221  Sterimol/B1: 2.70528  Sterimol/B2: 2.73674  Sterimol/B3: 6.01956
  Sterimol/B4: 11.3773  Sterimol/L: 17.004 
 
 Surface and Volume Properties
  Accessible surface: 698.942  Positive charged surface: 472.334  Negative charged surface: 226.607  Volume: 396.375
  Hydrophobic surface: 569.971  Hydrophilic surface: 128.971
 
 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.