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NIH-ZINC04103030

 MMsINC code: MMs02531781
Type: Neutral
Formula: C23H24N2O6
SMILES:   O1c2c(OC1)cc1NC(=O)C(=Cc1c2)CN(C(=O)C)CCc1cc(OC)c(OC)cc1
InChI:   InChI=1/C23H24N2O6/c1-14(26)25(7-6-15-4-5-19(28-2)20(8-15)29-3)12-17-9-16-10-21-22(31-13-30-21)11-18(16)24-23(17)27/h4-5,8-11H,6-7,12-13H2,1-3H3,(H,24,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=110.74 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.453 g/mol  logS: -4.18395  SlogP: 2.85917  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113148  Sterimol/B1: 2.22567  Sterimol/B2: 3.93318  Sterimol/B3: 4.60504
  Sterimol/B4: 9.31088  Sterimol/L: 18.7221 
 
 Surface and Volume Properties
  Accessible surface: 667.9  Positive charged surface: 483.122  Negative charged surface: 184.778  Volume: 390.5
  Hydrophobic surface: 517.538  Hydrophilic surface: 150.362
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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.