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CHEMDIV-ZINC06439149

 MMsINC code: MMs00998663
Type: Neutral
Formula: C18H32N4O5S
SMILES:   S(=O)(=O)(N1CC(CCC1)C(=O)NC1CCCC1)N1CCN(CC1)C(OCC)=O
InChI:   InChI=1/C18H32N4O5S/c1-2-27-18(24)20-10-12-21(13-11-20)28(25,26)22-9-5-6-15(14-22)17(23)19-16-7-3-4-8-16/h15-16H,2-14H2,1H3,(H,19,23)/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=-1.3847 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.543 g/mol  logS: -1.30425  SlogP: 0.7761  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105537  Sterimol/B1: 2.81578  Sterimol/B2: 2.81582  Sterimol/B3: 6.08304
  Sterimol/B4: 8.42227  Sterimol/L: 18.2724 
 
 Surface and Volume Properties
  Accessible surface: 697.935  Positive charged surface: 529.335  Negative charged surface: 168.6  Volume: 388.875
  Hydrophobic surface: 554.508  Hydrophilic surface: 143.427
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.