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ASINEX-ZINC04945312

 MMsINC code: MMs00410265
Type: Neutral
Formula: C15H18F2N4O3S
SMILES:   S(=O)(=O)(N(CC(=O)NCCCn1ccnc1)c1cc(F)c(F)cc1)C
InChI:   InChI=1/C15H18F2N4O3S/c1-25(23,24)21(12-3-4-13(16)14(17)9-12)10-15(22)19-5-2-7-20-8-6-18-11-20/h3-4,6,8-9,11H,2,5,7,10H2,1H3,(H,19,22)

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Potential Energy
Epot(MMFF94)=59.2751 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.396 g/mol  logS: -2.55531  SlogP: 1.4002  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0344108  Sterimol/B1: 2.44703  Sterimol/B2: 2.59173  Sterimol/B3: 4.07784
  Sterimol/B4: 8.4344  Sterimol/L: 18.0433 
 
 Surface and Volume Properties
  Accessible surface: 598.19  Positive charged surface: 363.802  Negative charged surface: 234.388  Volume: 315.5
  Hydrophobic surface: 467.698  Hydrophilic surface: 130.492
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: no related molecules available.