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CHEMDIV-ZINC06893651

 MMsINC code: MMs01055254
Type: Neutral
Formula: C18H23N3O4S
SMILES:   S(=O)(=O)(N1CCCCC1)c1cc([nH]c1)C(=O)NCc1cc(OC)ccc1
InChI:   InChI=1/C18H23N3O4S/c1-25-15-7-5-6-14(10-15)12-20-18(22)17-11-16(13-19-17)26(23,24)21-8-3-2-4-9-21/h5-7,10-11,13,19H,2-4,8-9,12H2,1H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=40.6134 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.465 g/mol  logS: -2.61314  SlogP: 2.3943  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.053002  Sterimol/B1: 2.42993  Sterimol/B2: 3.77773  Sterimol/B3: 5.21537
  Sterimol/B4: 5.78195  Sterimol/L: 20.1999 
 
 Surface and Volume Properties
  Accessible surface: 654.373  Positive charged surface: 435.121  Negative charged surface: 219.252  Volume: 348.5
  Hydrophobic surface: 489.429  Hydrophilic surface: 164.944
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.