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ENAMINE-ZINC05415907

 MMsINC code: MMs01610528
Type: Neutral
Formula: C21H16N2O6
SMILES:   O=C1c2c(cccc2NC(=O)COC(=O)C2NC(=O)CC2)C(=O)c2c1cccc2
InChI:   InChI=1/C21H16N2O6/c24-16-9-8-15(23-16)21(28)29-10-17(25)22-14-7-3-6-13-18(14)20(27)12-5-2-1-4-11(12)19(13)26/h1-7,15H,8-10H2,(H,22,25)(H,23,24)/t15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=118.111 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.367 g/mol  logS: -4.90036  SlogP: 1.2223  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.017658  Sterimol/B1: 3.15161  Sterimol/B2: 3.33769  Sterimol/B3: 3.4267
  Sterimol/B4: 8.17097  Sterimol/L: 19.466 
 
 Surface and Volume Properties
  Accessible surface: 624.173  Positive charged surface: 364.458  Negative charged surface: 259.715  Volume: 340.875
  Hydrophobic surface: 412.688  Hydrophilic surface: 211.485
 
 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.