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ALFAAESAR-ZINC04529528

 MMsINC code: MMs00024898
Type: Neutral
Formula: C14H10ClNO2
SMILES:   ClCCN1C(=O)c2c3c(cccc3ccc2)C1=O
InChI:   InChI=1/C14H10ClNO2/c15-7-8-16-13(17)10-5-1-3-9-4-2-6-11(12(9)10)14(16)18/h1-6H,7-8H2

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Potential Energy
Epot(MMFF94)=42.6889 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.692 g/mol  logS: -4.57789  SlogP: 2.6746  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0402174  Sterimol/B1: 2.43997  Sterimol/B2: 2.67068  Sterimol/B3: 2.77935
  Sterimol/B4: 7.2396  Sterimol/L: 13.407 
 
 Surface and Volume Properties
  Accessible surface: 440.964  Positive charged surface: 208.959  Negative charged surface: 220.933  Volume: 228.125
  Hydrophobic surface: 307.602  Hydrophilic surface: 133.362
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.