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ENAMINE-ZINC03385104

 MMsINC code: MMs01409902
Type: Neutral
Formula: C15H22N4O5
SMILES:   O=C1N(C2CCCC2)C(=O)N(CC(=O)NC(=O)NC(C)(C)C)C1=O
InChI:   InChI=1/C15H22N4O5/c1-15(2,3)17-13(23)16-10(20)8-18-11(21)12(22)19(14(18)24)9-6-4-5-7-9/h9H,4-8H2,1-3H3,(H2,16,17,20,23)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.8022 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.364 g/mol  logS: -2.65446  SlogP: 0.3441  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.050752  Sterimol/B1: 2.33172  Sterimol/B2: 2.72238  Sterimol/B3: 5.08683
  Sterimol/B4: 5.88458  Sterimol/L: 18.0419 
 
 Surface and Volume Properties
  Accessible surface: 580.735  Positive charged surface: 381.776  Negative charged surface: 198.958  Volume: 307.125
  Hydrophobic surface: 341.14  Hydrophilic surface: 239.595
 
 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.