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NCID-ZINC05957676

 MMsINC code: MMs02513869
Type: Neutral
Formula: C24H28N2O7
SMILES:   O(Cc1ccccc1)C(=O)CCC(N)C(=O)NC(CCC(OCc1ccccc1)=O)C(O)=O
InChI:   InChI=1/C24H28N2O7/c25-19(11-13-21(27)32-15-17-7-3-1-4-8-17)23(29)26-20(24(30)31)12-14-22(28)33-16-18-9-5-2-6-10-18/h1-10,19-20H,11-16,25H2,(H,26,29)(H,30,31)/t19-,20-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=84.1369 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 456.495 g/mol  logS: -3.96983  SlogP: 2.4631  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0473642  Sterimol/B1: 3.50486  Sterimol/B2: 3.57498  Sterimol/B3: 5.30112
  Sterimol/B4: 10.3156  Sterimol/L: 23.365 
 
 Surface and Volume Properties
  Accessible surface: 831.243  Positive charged surface: 501.656  Negative charged surface: 329.587  Volume: 433.875
  Hydrophobic surface: 576.661  Hydrophilic surface: 254.582
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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: 0
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Ions/Tautomers related molecules: no related molecules available.