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ENAMINE-ZINC03487492

 MMsINC code: MMs01469281
Type: Neutral
Formula: C15H20N4O5
SMILES:   o1cccc1CNC(=O)NC(=O)CN1C(=O)C(NC1=O)CC(C)C
InChI:   InChI=1/C15H20N4O5/c1-9(2)6-11-13(21)19(15(23)17-11)8-12(20)18-14(22)16-7-10-4-3-5-24-10/h3-5,9,11H,6-8H2,1-2H3,(H,17,23)(H2,16,18,20,22)/t11-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.14097 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.348 g/mol  logS: -3.51448  SlogP: 0.8383  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0351313  Sterimol/B1: 1.969  Sterimol/B2: 3.38057  Sterimol/B3: 4.34157
  Sterimol/B4: 6.6004  Sterimol/L: 19.8381 
 
 Surface and Volume Properties
  Accessible surface: 605.193  Positive charged surface: 370.15  Negative charged surface: 235.043  Volume: 303.625
  Hydrophobic surface: 341.695  Hydrophilic surface: 263.498
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.