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ENAMINE-ZINC03218040

 MMsINC code: MMs01311513
Type: Neutral
Formula: C25H32N2O6S
SMILES:   S(=O)(=O)(N(CC)CC)c1cc(ccc1C)C(OCC(=O)NC(=O)c1ccc(cc1)C(C)(C
)C)=O
InChI:   InChI=1/C25H32N2O6S/c1-7-27(8-2)34(31,32)21-15-19(10-9-17(21)3)24(30)33-16-22(28)26-23(29)18-11-13-20(14-12-18)25(4,5)6/h9-15H,7-8,16H2,1-6H3,(H,26,28,29)

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Potential Energy
Epot(MMFF94)=110.346 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 488.605 g/mol  logS: -6.84242  SlogP: 3.43642  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0248906  Sterimol/B1: 2.52507  Sterimol/B2: 3.32781  Sterimol/B3: 5.99994
  Sterimol/B4: 7.57304  Sterimol/L: 22.3228 
 
 Surface and Volume Properties
  Accessible surface: 803.055  Positive charged surface: 487.978  Negative charged surface: 315.077  Volume: 461.125
  Hydrophobic surface: 554.422  Hydrophilic surface: 248.633
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.