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ENAMINE-ZINC03564427

 MMsINC code: MMs01510641
Type: Neutral
Formula: C19H18N2O6S
SMILES:   S(=O)(=O)(N(C)C)c1cc(ccc1)C(OCCN1C(=O)c2c(cccc2)C1=O)=O
InChI:   InChI=1/C19H18N2O6S/c1-20(2)28(25,26)14-7-5-6-13(12-14)19(24)27-11-10-21-17(22)15-8-3-4-9-16(15)18(21)23/h3-9,12H,10-11H2,1-2H3

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Potential Energy
Epot(MMFF94)=50.9285 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.427 g/mol  logS: -4.02436  SlogP: 1.3899  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0567008  Sterimol/B1: 3.74675  Sterimol/B2: 3.78379  Sterimol/B3: 4.28782
  Sterimol/B4: 6.45375  Sterimol/L: 17.8867 
 
 Surface and Volume Properties
  Accessible surface: 637.444  Positive charged surface: 384.958  Negative charged surface: 252.486  Volume: 351.375
  Hydrophobic surface: 482.757  Hydrophilic surface: 154.687
 
 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.