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ENAMINE-ZINC02649912

 MMsINC code: MMs01274668
Type: Ionized
Formula: C15H23N4O6-
SMILES:   O=C1NC(=O)N(CC(C)C)C(N)=C1N(C(=O)CCC(=O)[O-])CCOC
InChI:   InChI=1/C15H24N4O6/c1-9(2)8-19-13(16)12(14(23)17-15(19)24)18(6-7-25-3)10(20)4-5-11(21)22/h9H,4-8,16H2,1-3H3,(H,21,22)(H,17,23,24)/p-1

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Potential Energy
Epot(MMFF94)=37.1367 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.371 g/mol  logS: -1.37883  SlogP: -1.6729  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104407  Sterimol/B1: 3.22439  Sterimol/B2: 4.20434  Sterimol/B3: 5.41987
  Sterimol/B4: 5.77754  Sterimol/L: 15.1282 
 
 Surface and Volume Properties
  Accessible surface: 594.28  Positive charged surface: 410.991  Negative charged surface: 183.289  Volume: 329.125
  Hydrophobic surface: 313.485  Hydrophilic surface: 280.795
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 2  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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Parent related molecule:


MMs01274667
ENAMINE-ZINC02649912