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CHEMSTAR-ZINC04555517

 MMsINC code: MMs01119062
Type: Neutral
Formula: C23H24N2O5
SMILES:   O=C1N(NC(=O)c2ccccc2C)CC(C1)C(OC(C(=O)c1ccc(cc1)C)C)=O
InChI:   InChI=1/C23H24N2O5/c1-14-8-10-17(11-9-14)21(27)16(3)30-23(29)18-12-20(26)25(13-18)24-22(28)19-7-5-4-6-15(19)2/h4-11,16,18H,12-13H2,1-3H3,(H,24,28)/t16-,18-/m1/s1

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Potential Energy
Epot(MMFF94)=114.073 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.454 g/mol  logS: -5.27922  SlogP: 2.61134  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0396052  Sterimol/B1: 2.19429  Sterimol/B2: 3.79284  Sterimol/B3: 4.87723
  Sterimol/B4: 5.72467  Sterimol/L: 22.9543 
 
 Surface and Volume Properties
  Accessible surface: 710.471  Positive charged surface: 415.454  Negative charged surface: 295.017  Volume: 390
  Hydrophobic surface: 562.425  Hydrophilic surface: 148.046
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.