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BACHEM-ZINC04760085

 MMsINC code: MMs00484798
Type: Ionized
Formula: C16H29N2O6-
SMILES:   O(C(C)(C)C)C(=O)NC(CCCCNC(OC(C)(C)C)=O)C(=O)[O-]
InChI:   InChI=1/C16H30N2O6/c1-15(2,3)23-13(21)17-10-8-7-9-11(12(19)20)18-14(22)24-16(4,5)6/h11H,7-10H2,1-6H3,(H,17,21)(H,18,22)(H,19,20)/p-1/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=3.9885 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.416 g/mol  logS: -2.91418  SlogP: 1.3246  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0612529  Sterimol/B1: 2.99216  Sterimol/B2: 3.57224  Sterimol/B3: 4.15673
  Sterimol/B4: 8.97351  Sterimol/L: 18.0514 
 
 Surface and Volume Properties
  Accessible surface: 672.751  Positive charged surface: 468.535  Negative charged surface: 204.216  Volume: 346.375
  Hydrophobic surface: 410.688  Hydrophilic surface: 262.063
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs00484797
BACHEM-ZINC04760085