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ANALYTICONDISCOVERY-ZINC04260785

 MMsINC code: MMs00034784
Type: Neutral
Formula: C17H14FN3O3S
SMILES:   s1cccc1C(=O)N1C2C(NC(=O)N(C2=O)c2ccc(F)cc2)CC1
InChI:   InChI=1/C17H14FN3O3S/c18-10-3-5-11(6-4-10)21-16(23)14-12(19-17(21)24)7-8-20(14)15(22)13-2-1-9-25-13/h1-6,9,12,14H,7-8H2,(H,19,24)/t12-,14+/m1/s1

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Potential Energy
Epot(MMFF94)=91.8864 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.381 g/mol  logS: -4.14509  SlogP: 2.2267  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120851  Sterimol/B1: 2.45566  Sterimol/B2: 3.85992  Sterimol/B3: 4.05567
  Sterimol/B4: 7.0771  Sterimol/L: 15.3984 
 
 Surface and Volume Properties
  Accessible surface: 547.027  Positive charged surface: 281.722  Negative charged surface: 265.305  Volume: 302.875
  Hydrophobic surface: 433.156  Hydrophilic surface: 113.871
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.