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ANALYTICONDISCOVERY-ZINC05433781

 MMsINC code: MMs00037610
Type: Neutral
Formula: C15H27N5O5S
SMILES:   S(=O)(=O)(N1CCN(CC1C(=O)NC1CCCNC1=O)C(=O)NC(C)C)C
InChI:   InChI=1/C15H27N5O5S/c1-10(2)17-15(23)19-7-8-20(26(3,24)25)12(9-19)14(22)18-11-5-4-6-16-13(11)21/h10-12H,4-9H2,1-3H3,(H,16,21)(H,17,23)(H,18,22)/t11-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=70.8206 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.477 g/mol  logS: -1.08316  SlogP: -1.555  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.071798  Sterimol/B1: 2.48725  Sterimol/B2: 3.30021  Sterimol/B3: 4.67798
  Sterimol/B4: 7.30664  Sterimol/L: 17.2641 
 
 Surface and Volume Properties
  Accessible surface: 626.018  Positive charged surface: 454.777  Negative charged surface: 171.242  Volume: 343.625
  Hydrophobic surface: 420.266  Hydrophilic surface: 205.752
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.