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APOLLO-ZINC02559478

 MMsINC code: MMs00053725
Type: Neutral
Formula: C10H15NO2S
SMILES:   S(=O)(=O)(CCNC)c1ccc(cc1)C
InChI:   InChI=1/C10H15NO2S/c1-9-3-5-10(6-4-9)14(12,13)8-7-11-2/h3-6,11H,7-8H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.2073 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.301 g/mol  logS: -1.76643  SlogP: 0.98812  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0659658  Sterimol/B1: 2.29319  Sterimol/B2: 3.51211  Sterimol/B3: 3.81691
  Sterimol/B4: 4.70241  Sterimol/L: 14.6918 
 
 Surface and Volume Properties
  Accessible surface: 436.184  Positive charged surface: 280.181  Negative charged surface: 156.003  Volume: 203.875
  Hydrophobic surface: 353.246  Hydrophilic surface: 82.938
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs00053726
APOLLO-ZINC02559478