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PUBCHEM-ZINC05905131

 MMsINC code: MMs03437971
Type: Neutral
Formula: C19H19N3O3S
SMILES:   S(=O)(=O)(N)c1ccc(cc1)CCNC(=O)Nc1c2c(ccc1)cccc2
InChI:   InChI=1/C19H19N3O3S/c20-26(24,25)16-10-8-14(9-11-16)12-13-21-19(23)22-18-7-3-5-15-4-1-2-6-17(15)18/h1-11H,12-13H2,(H2,20,24,25)(H2,21,22,23)

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Potential Energy
Epot(MMFF94)=42.2227 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.445 g/mol  logS: -5.36205  SlogP: 2.85137  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0255027  Sterimol/B1: 3.37413  Sterimol/B2: 3.53652  Sterimol/B3: 4.03537
  Sterimol/B4: 6.43037  Sterimol/L: 20.8536 
 
 Surface and Volume Properties
  Accessible surface: 633.247  Positive charged surface: 344.152  Negative charged surface: 278.738  Volume: 333.625
  Hydrophobic surface: 445.544  Hydrophilic surface: 187.703
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03437972
PUBCHEM-ZINC05905131