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CHEMBRIDGE-ZINC01054599

 MMsINC code: MMs00654159
Type: Neutral
Formula: C17H14ClFN4OS
SMILES:   Clc1c2c(sc1C(=O)N1CCN(CC1)c1ncccn1)cccc2F
InChI:   InChI=1/C17H14ClFN4OS/c18-14-13-11(19)3-1-4-12(13)25-15(14)16(24)22-7-9-23(10-8-22)17-20-5-2-6-21-17/h1-6H,7-10H2

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Potential Energy
Epot(MMFF94)=108.184 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.843 g/mol  logS: -5.48283  SlogP: 3.4462  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0699962  Sterimol/B1: 3.12077  Sterimol/B2: 3.61331  Sterimol/B3: 4.07833
  Sterimol/B4: 6.4408  Sterimol/L: 17.0555 
 
 Surface and Volume Properties
  Accessible surface: 571.696  Positive charged surface: 350.287  Negative charged surface: 215.906  Volume: 317.625
  Hydrophobic surface: 511.584  Hydrophilic surface: 60.112
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.