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CHEMBLOCK-ZINC01165356

 MMsINC code: MMs00517162
Type: Neutral
Formula: C19H28N2O4S
SMILES:   s1c(C(=O)NC2CCCCC2)c(C)c(C(OCC)=O)c1NC(=O)CCC
InChI:   InChI=1/C19H28N2O4S/c1-4-9-14(22)21-18-15(19(24)25-5-2)12(3)16(26-18)17(23)20-13-10-7-6-8-11-13/h13H,4-11H2,1-3H3,(H,20,23)(H,21,22)

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Potential Energy
Epot(MMFF94)=53.8183 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.509 g/mol  logS: -4.91593  SlogP: 4.03432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0458665  Sterimol/B1: 2.55114  Sterimol/B2: 3.59278  Sterimol/B3: 3.66429
  Sterimol/B4: 11.4094  Sterimol/L: 17.1953 
 
 Surface and Volume Properties
  Accessible surface: 693.381  Positive charged surface: 485.149  Negative charged surface: 208.232  Volume: 365.75
  Hydrophobic surface: 553.377  Hydrophilic surface: 140.004
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.