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CHEMBRIDGE-ZINC01052235

 MMsINC code: MMs00653376
Type: Neutral
Formula: C14H8ClFN2OS
SMILES:   Clc1c2c(sc1C(=O)Nc1ncccc1)cccc2F
InChI:   InChI=1/C14H8ClFN2OS/c15-12-11-8(16)4-3-5-9(11)20-13(12)14(19)18-10-6-1-2-7-17-10/h1-7H,(H,17,18,19)

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Potential Energy
Epot(MMFF94)=46.9371 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.748 g/mol  logS: -5.09061  SlogP: 4.3411  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000366745  Sterimol/B1: 2.097  Sterimol/B2: 2.33875  Sterimol/B3: 3.14105
  Sterimol/B4: 5.76757  Sterimol/L: 16.0184 
 
 Surface and Volume Properties
  Accessible surface: 482.232  Positive charged surface: 228.753  Negative charged surface: 248.184  Volume: 252.25
  Hydrophobic surface: 435.343  Hydrophilic surface: 46.889
 
 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.