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ENAMINE-ZINC03531803

 MMsINC code: MMs01494118
Type: Neutral
Formula: C14H15N3O4
SMILES:   O(C(=O)c1n(ccc1)C)CC(=O)NC(=O)c1n(ccc1)C
InChI:   InChI=1/C14H15N3O4/c1-16-7-3-5-10(16)13(19)15-12(18)9-21-14(20)11-6-4-8-17(11)2/h3-8H,9H2,1-2H3,(H,15,18,19)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.3111 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.291 g/mol  logS: -1.07469  SlogP: 1.1954  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00711069  Sterimol/B1: 2.20584  Sterimol/B2: 2.38179  Sterimol/B3: 2.77162
  Sterimol/B4: 6.19589  Sterimol/L: 17.995 
 
 Surface and Volume Properties
  Accessible surface: 535.162  Positive charged surface: 339.715  Negative charged surface: 195.447  Volume: 267.25
  Hydrophobic surface: 377.211  Hydrophilic surface: 157.951
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.