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ENAMINE-ZINC03486585

 MMsINC code: MMs01468786
Type: Neutral
Formula: C19H15N3O5
SMILES:   O1c2cc(C(=O)C)c(NC(=O)CN3C=Nc4c(cccc4)C3=O)cc2OC1
InChI:   InChI=1/C19H15N3O5/c1-11(23)13-6-16-17(27-10-26-16)7-15(13)21-18(24)8-22-9-20-14-5-3-2-4-12(14)19(22)25/h2-7,9H,8,10H2,1H3,(H,21,24)

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Potential Energy
Epot(MMFF94)=92.4119 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.345 g/mol  logS: -4.24554  SlogP: 2.3722  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0842565  Sterimol/B1: 2.44342  Sterimol/B2: 3.56192  Sterimol/B3: 4.99111
  Sterimol/B4: 8.79458  Sterimol/L: 16.1896 
 
 Surface and Volume Properties
  Accessible surface: 596.652  Positive charged surface: 375.986  Negative charged surface: 220.666  Volume: 320.75
  Hydrophobic surface: 410.425  Hydrophilic surface: 186.227
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.