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BACHEM-ZINC04899851

 MMsINC code: MMs00485415
Type: Neutral
Formula: C14H25N3O6
SMILES:   O(C(C(O)=O)C)C(=O)C(NC(=O)C(NC(=O)C)CCCCN)C
InChI:   InChI=1/C14H25N3O6/c1-8(14(22)23-9(2)13(20)21)16-12(19)11(17-10(3)18)6-4-5-7-15/h8-9,11H,4-7,15H2,1-3H3,(H,16,19)(H,17,18)(H,20,21)/t8-,9-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=59.4318 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.369 g/mol  logS: -1.29814  SlogP: -0.8589  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0673418  Sterimol/B1: 1.99833  Sterimol/B2: 5.26026  Sterimol/B3: 5.75482
  Sterimol/B4: 6.18568  Sterimol/L: 18.1933 
 
 Surface and Volume Properties
  Accessible surface: 626.162  Positive charged surface: 440.074  Negative charged surface: 186.088  Volume: 311.625
  Hydrophobic surface: 333.821  Hydrophilic surface: 292.341
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.