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ENAMINE-ZINC06787789

 MMsINC code: MMs01697665
Type: Neutral
Formula: C19H16N4O5
SMILES:   o1c2nc(nc(N)c2c(C(OCC)=O)c1C)CN1C(=O)c2c(cccc2)C1=O
InChI:   InChI=1/C19H16N4O5/c1-3-27-19(26)13-9(2)28-16-14(13)15(20)21-12(22-16)8-23-17(24)10-6-4-5-7-11(10)18(23)25/h4-7H,3,8H2,1-2H3,(H2,20,21,22)

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Potential Energy
Epot(MMFF94)=45.5119 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.36 g/mol  logS: -5.70161  SlogP: 2.35272  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0791522  Sterimol/B1: 2.87718  Sterimol/B2: 4.00152  Sterimol/B3: 4.53567
  Sterimol/B4: 7.07805  Sterimol/L: 18.2067 
 
 Surface and Volume Properties
  Accessible surface: 637.225  Positive charged surface: 381.448  Negative charged surface: 249.803  Volume: 336.75
  Hydrophobic surface: 392.759  Hydrophilic surface: 244.466
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.