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ANALYTICONDISCOVERY-ZINC03839107

 MMsINC code: MMs00026386
Type: Neutral
Formula: C15H27N5O4S
SMILES:   S(CC(=O)N1CCC(NC(=O)NC(C)C)C1C(=O)N(CC(=O)N)C)C
InChI:   InChI=1/C15H27N5O4S/c1-9(2)17-15(24)18-10-5-6-20(12(22)8-25-4)13(10)14(23)19(3)7-11(16)21/h9-10,13H,5-8H2,1-4H3,(H2,16,21)(H2,17,18,24)/t10-,13-/m0/s1

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Potential Energy
Epot(MMFF94)=62.1537 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.478 g/mol  logS: -2.01296  SlogP: -1.0298  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0562203  Sterimol/B1: 2.4967  Sterimol/B2: 3.98946  Sterimol/B3: 4.76591
  Sterimol/B4: 7.58254  Sterimol/L: 18.2956 
 
 Surface and Volume Properties
  Accessible surface: 646.898  Positive charged surface: 456.036  Negative charged surface: 190.863  Volume: 348.875
  Hydrophobic surface: 381.632  Hydrophilic surface: 265.266
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.