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CHEMBRIDGE-ZINC02920179

 MMsINC code: MMs00741425
Type: Neutral
Formula: C23H24N2O5
SMILES:   O(CCOc1ccc(cc1)C(CC)C)c1ccc(cc1)C=C1C(=O)NC(=O)NC1=O
InChI:   InChI=1/C23H24N2O5/c1-3-15(2)17-6-10-19(11-7-17)30-13-12-29-18-8-4-16(5-9-18)14-20-21(26)24-23(28)25-22(20)27/h4-11,14-15H,3,12-13H2,1-2H3,(H2,24,25,26,27,28)/t15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.2598 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.454 g/mol  logS: -6.72578  SlogP: 3.4073  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0221  Sterimol/B1: 2.53842  Sterimol/B2: 3.99957  Sterimol/B3: 4.52188
  Sterimol/B4: 4.79429  Sterimol/L: 23.0624 
 
 Surface and Volume Properties
  Accessible surface: 710.473  Positive charged surface: 450.581  Negative charged surface: 259.892  Volume: 385.25
  Hydrophobic surface: 477.322  Hydrophilic surface: 233.151
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.