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ENAMINE-ZINC06602892

 MMsINC code: MMs01684121
Type: Neutral
Formula: C19H23N3O5S
SMILES:   S(=O)(=O)(NCc1occc1)c1ccc(cc1)C(=O)NNC(=O)C1CCCCC1
InChI:   InChI=1/C19H23N3O5S/c23-18(14-5-2-1-3-6-14)21-22-19(24)15-8-10-17(11-9-15)28(25,26)20-13-16-7-4-12-27-16/h4,7-12,14,20H,1-3,5-6,13H2,(H,21,23)(H,22,24)

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Potential Energy
Epot(MMFF94)=45.2214 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.475 g/mol  logS: -5.02747  SlogP: 2.3658  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0358592  Sterimol/B1: 2.097  Sterimol/B2: 2.34808  Sterimol/B3: 5.6209
  Sterimol/B4: 7.57873  Sterimol/L: 21.7156 
 
 Surface and Volume Properties
  Accessible surface: 684.48  Positive charged surface: 385.817  Negative charged surface: 298.663  Volume: 363.125
  Hydrophobic surface: 493.961  Hydrophilic surface: 190.519
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.