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ANALYTICONDISCOVERY-ZINC05398494

 MMsINC code: MMs00036185
Type: Neutral
Formula: C14H26N4O6S
SMILES:   S(=O)(=O)(N1CC(N(CC1)C(=O)NC(C)C)C(=O)NC(C(OC)=O)C)C
InChI:   InChI=1/C14H26N4O6S/c1-9(2)15-14(21)18-7-6-17(25(5,22)23)8-11(18)12(19)16-10(3)13(20)24-4/h9-11H,6-8H2,1-5H3,(H,15,21)(H,16,19)/t10-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=94.2641 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.45 g/mol  logS: -1.09359  SlogP: -1.2721  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100734  Sterimol/B1: 2.34507  Sterimol/B2: 2.80135  Sterimol/B3: 4.55014
  Sterimol/B4: 11.0134  Sterimol/L: 15.8827 
 
 Surface and Volume Properties
  Accessible surface: 636.898  Positive charged surface: 450.495  Negative charged surface: 186.404  Volume: 337.625
  Hydrophobic surface: 440.369  Hydrophilic surface: 196.529
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.