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ENAMINE-ZINC06905378

 MMsINC code: MMs01712150
Type: Neutral
Formula: C24H30N2O5
SMILES:   O(C)c1ccc(cc1NC(=O)COC(=O)CC(NC(=O)C)c1ccccc1)C(C)(C)C
InChI:   InChI=1/C24H30N2O5/c1-16(27)25-19(17-9-7-6-8-10-17)14-23(29)31-15-22(28)26-20-13-18(24(2,3)4)11-12-21(20)30-5/h6-13,19H,14-15H2,1-5H3,(H,25,27)(H,26,28)/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=112.285 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.513 g/mol  logS: -5.89485  SlogP: 3.8374  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0365662  Sterimol/B1: 3.3095  Sterimol/B2: 3.44904  Sterimol/B3: 4.22854
  Sterimol/B4: 8.70001  Sterimol/L: 19.2138 
 
 Surface and Volume Properties
  Accessible surface: 766.25  Positive charged surface: 519.228  Negative charged surface: 247.022  Volume: 421.875
  Hydrophobic surface: 597.282  Hydrophilic surface: 168.968
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.