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ENAMINE-ZINC03544775

 MMsINC code: MMs01500168
Type: Neutral
Formula: C26H26N2O5S
SMILES:   S(=O)(=O)(N(C)c1ccc(cc1)C)c1cc(ccc1)C(OC(C(=O)N1CCc2c1cccc2)
C)=O
InChI:   InChI=1/C26H26N2O5S/c1-18-11-13-22(14-12-18)27(3)34(31,32)23-9-6-8-21(17-23)26(30)33-19(2)25(29)28-16-15-20-7-4-5-10-24(20)28/h4-14,17,19H,15-16H2,1-3H3/t19-/m1/s1

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Potential Energy
Epot(MMFF94)=119.52 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 478.569 g/mol  logS: -6.37947  SlogP: 3.95469  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0771955  Sterimol/B1: 1.969  Sterimol/B2: 3.94155  Sterimol/B3: 5.15618
  Sterimol/B4: 11.0295  Sterimol/L: 19.3738 
 
 Surface and Volume Properties
  Accessible surface: 777.774  Positive charged surface: 455.406  Negative charged surface: 322.368  Volume: 445.25
  Hydrophobic surface: 651.452  Hydrophilic surface: 126.322
 
 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.