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CHEMBRIDGE-ZINC02409333

 MMsINC code: MMs00708828
Type: Neutral
Formula: C15H11Cl2FN4S
SMILES:   Clc1cc(ccc1Cl)CSc1nnc(n1N)-c1ccc(F)cc1
InChI:   InChI=1/C15H11Cl2FN4S/c16-12-6-1-9(7-13(12)17)8-23-15-21-20-14(22(15)19)10-2-4-11(18)5-3-10/h1-7H,8,19H2

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Potential Energy
Epot(MMFF94)=67.3864 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.251 g/mol  logS: -7.80357  SlogP: 4.6635  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.039944  Sterimol/B1: 2.48194  Sterimol/B2: 3.78831  Sterimol/B3: 4.35314
  Sterimol/B4: 5.18651  Sterimol/L: 19.6674 
 
 Surface and Volume Properties
  Accessible surface: 578.199  Positive charged surface: 241.28  Negative charged surface: 336.919  Volume: 302.625
  Hydrophobic surface: 453.526  Hydrophilic surface: 124.673
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.