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ENAMINE-ZINC06085627

 MMsINC code: MMs01654727
Type: Neutral
Formula: C19H22FN3O4S
SMILES:   S(=O)(=O)(N(CC(=O)NC(C)c1ccc(F)cc1)C)c1ccc(NC(=O)C)cc1
InChI:   InChI=1/C19H22FN3O4S/c1-13(15-4-6-16(20)7-5-15)21-19(25)12-23(3)28(26,27)18-10-8-17(9-11-18)22-14(2)24/h4-11,13H,12H2,1-3H3,(H,21,25)(H,22,24)/t13-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.0013 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.466 g/mol  logS: -4.07055  SlogP: 2.3775  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102036  Sterimol/B1: 1.9852  Sterimol/B2: 5.61603  Sterimol/B3: 6.79331
  Sterimol/B4: 6.81744  Sterimol/L: 16.4378 
 
 Surface and Volume Properties
  Accessible surface: 661.094  Positive charged surface: 384.681  Negative charged surface: 276.413  Volume: 364.25
  Hydrophobic surface: 509.029  Hydrophilic surface: 152.065
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.