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CHEMDIV-ZINC05026293

 MMsINC code: MMs00979964
Type: Neutral
Formula: C19H25N3O5S
SMILES:   S(=O)(=O)(N(CC(=O)N1CCCCC1)c1ccc(OC)cc1)c1c(noc1C)C
InChI:   InChI=1/C19H25N3O5S/c1-14-19(15(2)27-20-14)28(24,25)22(16-7-9-17(26-3)10-8-16)13-18(23)21-11-5-4-6-12-21/h7-10H,4-6,11-13H2,1-3H3

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Potential Energy
Epot(MMFF94)=86.7277 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.491 g/mol  logS: -3.26654  SlogP: 2.50784  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146856  Sterimol/B1: 3.92524  Sterimol/B2: 4.13123  Sterimol/B3: 4.86884
  Sterimol/B4: 8.93281  Sterimol/L: 14.0947 
 
 Surface and Volume Properties
  Accessible surface: 634.056  Positive charged surface: 420.59  Negative charged surface: 213.465  Volume: 372.375
  Hydrophobic surface: 540.35  Hydrophilic surface: 93.706
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.