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PUBCHEM-ZINC04699779

 MMsINC code: MMs03159648
Type: Neutral
Formula: C14H11ClN2OS
SMILES:   Clc1cc2cc([nH]c2cc1)C(=O)NCc1sccc1
InChI:   InChI=1/C14H11ClN2OS/c15-10-3-4-12-9(6-10)7-13(17-12)14(18)16-8-11-2-1-5-19-11/h1-7,17H,8H2,(H,16,18)

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Potential Energy
Epot(MMFF94)=19.5633 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.774 g/mol  logS: -4.28269  SlogP: 4.0792  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0277349  Sterimol/B1: 2.78642  Sterimol/B2: 3.09563  Sterimol/B3: 4.42842
  Sterimol/B4: 5.67733  Sterimol/L: 16.8843 
 
 Surface and Volume Properties
  Accessible surface: 512.704  Positive charged surface: 219.691  Negative charged surface: 287.823  Volume: 256
  Hydrophobic surface: 435.783  Hydrophilic surface: 76.921
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.