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ENAMINE-ZINC03431598

 MMsINC code: MMs01437994
Type: Neutral
Formula: C26H26N2O5S
SMILES:   S(=O)(=O)(N1c2c(CC1C)cccc2)c1cc(ccc1)C(OC(C(=O)N(C)c1ccccc1)
C)=O
InChI:   InChI=1/C26H26N2O5S/c1-18-16-20-10-7-8-15-24(20)28(18)34(31,32)23-14-9-11-21(17-23)26(30)33-19(2)25(29)27(3)22-12-5-4-6-13-22/h4-15,17-19H,16H2,1-3H3/t18-,19+/m0/s1

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Potential Energy
Epot(MMFF94)=150.674 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 478.569 g/mol  logS: -6.23276  SlogP: 4.03477  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0918936  Sterimol/B1: 2.09799  Sterimol/B2: 3.8911  Sterimol/B3: 5.24948
  Sterimol/B4: 7.8936  Sterimol/L: 20.1249 
 
 Surface and Volume Properties
  Accessible surface: 750.715  Positive charged surface: 422.445  Negative charged surface: 328.27  Volume: 441.75
  Hydrophobic surface: 615.548  Hydrophilic surface: 135.167
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.