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CHEMBLOCK-ZINC04602374

 MMsINC code: MMs00561171
Type: Neutral
Formula: C19H26FN2O3S+
SMILES:   [S+](CCCC)(CCCC)C=1C(=O)NC(=O)N(Cc2ccc(F)cc2)C=1O
InChI:   InChI=1/C19H25FN2O3S/c1-3-5-11-26(12-6-4-2)16-17(23)21-19(25)22(18(16)24)13-14-7-9-15(20)10-8-14/h7-10H,3-6,11-13H2,1-2H3,(H-,21,23,24,25)/p+1

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Potential Energy
Epot(MMFF94)=-6.51418 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.492 g/mol  logS: -5.34868  SlogP: 4.0895  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112484  Sterimol/B1: 2.42129  Sterimol/B2: 4.2632  Sterimol/B3: 4.4107
  Sterimol/B4: 9.28722  Sterimol/L: 17.5214 
 
 Surface and Volume Properties
  Accessible surface: 640.251  Positive charged surface: 425.986  Negative charged surface: 214.265  Volume: 361.875
  Hydrophobic surface: 467.521  Hydrophilic surface: 172.73
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 1
  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.