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ENAMINE-ZINC03414518

 MMsINC code: MMs01428090
Type: Neutral
Formula: C19H24N2O4S
SMILES:   S(=O)(=O)(C)c1ccc(cc1)C(=O)NCC(N(C)C)c1ccc(OC)cc1
InChI:   InChI=1/C19H24N2O4S/c1-21(2)18(14-5-9-16(25-3)10-6-14)13-20-19(22)15-7-11-17(12-8-15)26(4,23)24/h5-12,18H,13H2,1-4H3,(H,20,22)/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=128.974 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.477 g/mol  logS: -3.38787  SlogP: 2.2269  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0618796  Sterimol/B1: 2.24709  Sterimol/B2: 3.88265  Sterimol/B3: 5.25921
  Sterimol/B4: 6.20543  Sterimol/L: 20.8495 
 
 Surface and Volume Properties
  Accessible surface: 641.75  Positive charged surface: 403.448  Negative charged surface: 238.301  Volume: 354.375
  Hydrophobic surface: 527.495  Hydrophilic surface: 114.255
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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


MMs01428091
ENAMINE-ZINC03414518