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ENAMINE-ZINC03544983

 MMsINC code: MMs01500288
Type: Neutral
Formula: C23H28N2O5S
SMILES:   S(=O)(=O)(N(CC)CC)c1cc(ccc1C)C(OC(C(=O)N1CCc2c1cccc2)C)=O
InChI:   InChI=1/C23H28N2O5S/c1-5-24(6-2)31(28,29)21-15-19(12-11-16(21)3)23(27)30-17(4)22(26)25-14-13-18-9-7-8-10-20(18)25/h7-12,15,17H,5-6,13-14H2,1-4H3/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=92.641 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 444.552 g/mol  logS: -4.89658  SlogP: 3.16009  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0719321  Sterimol/B1: 2.5578  Sterimol/B2: 3.60045  Sterimol/B3: 6.94324
  Sterimol/B4: 7.27829  Sterimol/L: 19.1378 
 
 Surface and Volume Properties
  Accessible surface: 715.635  Positive charged surface: 435.712  Negative charged surface: 279.923  Volume: 418
  Hydrophobic surface: 561.856  Hydrophilic surface: 153.779
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.