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ENAMINE-ZINC03421618

 MMsINC code: MMs01432244
Type: Neutral
Formula: C19H15N3O6
SMILES:   O=C1N(Cc2ccccc2)C(=O)c2c1cc(cc2)C(OCC(=O)NC(=O)N)=O
InChI:   InChI=1/C19H15N3O6/c20-19(27)21-15(23)10-28-18(26)12-6-7-13-14(8-12)17(25)22(16(13)24)9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H3,20,21,23,27)

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Potential Energy
Epot(MMFF94)=45.1253 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.344 g/mol  logS: -4.59145  SlogP: 1.1009  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0453456  Sterimol/B1: 2.41887  Sterimol/B2: 3.56944  Sterimol/B3: 4.81473
  Sterimol/B4: 5.85597  Sterimol/L: 20.4745 
 
 Surface and Volume Properties
  Accessible surface: 637.035  Positive charged surface: 364.45  Negative charged surface: 272.585  Volume: 332.125
  Hydrophobic surface: 353.474  Hydrophilic surface: 283.561
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.