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ENAMINE-ZINC03431635

 MMsINC code: MMs01438028
Type: Neutral
Formula: C25H24N2O5S
SMILES:   S(=O)(=O)(N1c2c(CC1C)cccc2)c1cc(ccc1)C(OCC(=O)N(C)c1ccccc1)=
O
InChI:   InChI=1/C25H24N2O5S/c1-18-15-19-9-6-7-14-23(19)27(18)33(30,31)22-13-8-10-20(16-22)25(29)32-17-24(28)26(2)21-11-4-3-5-12-21/h3-14,16,18H,15,17H2,1-2H3/t18-/m1/s1

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Potential Energy
Epot(MMFF94)=130.105 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 464.542 g/mol  logS: -5.90555  SlogP: 3.64627  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0616936  Sterimol/B1: 2.49587  Sterimol/B2: 4.31496  Sterimol/B3: 4.84706
  Sterimol/B4: 7.29234  Sterimol/L: 20.9929 
 
 Surface and Volume Properties
  Accessible surface: 739.036  Positive charged surface: 426.443  Negative charged surface: 312.593  Volume: 428.875
  Hydrophobic surface: 607.88  Hydrophilic surface: 131.156
 
 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.