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ENAMINE-ZINC05120099

 MMsINC code: MMs01589361
Type: Neutral
Formula: C20H24N2O3S
SMILES:   S(=O)(=O)(N(C(C)C1CC1)Cc1ccccc1)c1ccc(NC(=O)C)cc1
InChI:   InChI=1/C20H24N2O3S/c1-15(18-8-9-18)22(14-17-6-4-3-5-7-17)26(24,25)20-12-10-19(11-13-20)21-16(2)23/h3-7,10-13,15,18H,8-9,14H2,1-2H3,(H,21,23)/t15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=99.1786 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.489 g/mol  logS: -4.23171  SlogP: 3.9008  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0607907  Sterimol/B1: 2.40739  Sterimol/B2: 3.00117  Sterimol/B3: 5.31806
  Sterimol/B4: 7.80254  Sterimol/L: 17.5597 
 
 Surface and Volume Properties
  Accessible surface: 597.606  Positive charged surface: 340.235  Negative charged surface: 257.371  Volume: 355.375
  Hydrophobic surface: 444.227  Hydrophilic surface: 153.379
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: no related molecules available.