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ENAMINE-ZINC05271188

 MMsINC code: MMs01606716
Type: Neutral
Formula: C19H18N4O4
SMILES:   O(C(=O)c1nc2n(c1)C=CC(=C2)C)CC(=O)Nc1ccc(NC(=O)C)cc1
InChI:   InChI=1/C19H18N4O4/c1-12-7-8-23-10-16(22-17(23)9-12)19(26)27-11-18(25)21-15-5-3-14(4-6-15)20-13(2)24/h3-10H,11H2,1-2H3,(H,20,24)(H,21,25)

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Potential Energy
Epot(MMFF94)=105.94 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.377 g/mol  logS: -3.68665  SlogP: 2.5246  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0132964  Sterimol/B1: 2.09449  Sterimol/B2: 3.22449  Sterimol/B3: 3.26228
  Sterimol/B4: 8.10968  Sterimol/L: 21.6298 
 
 Surface and Volume Properties
  Accessible surface: 666.972  Positive charged surface: 391.617  Negative charged surface: 275.356  Volume: 337.125
  Hydrophobic surface: 486.555  Hydrophilic surface: 180.417
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.