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PUBCHEM-ZINC05943827

 MMsINC code: MMs03455151
Type: Neutral
Formula: C10H8Cl2N2O2
SMILES:   Clc1cc(ccc1Cl)C=C(C(=O)N)C(=O)N
InChI:   InChI=1/C10H8Cl2N2O2/c11-7-2-1-5(4-8(7)12)3-6(9(13)15)10(14)16/h1-4H,(H2,13,15)(H2,14,16)

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Potential Energy
Epot(MMFF94)=38.5562 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.092 g/mol  logS: -3.89955  SlogP: 1.3474  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.100865  Sterimol/B1: 2.47021  Sterimol/B2: 3.19536  Sterimol/B3: 3.64632
  Sterimol/B4: 6.1527  Sterimol/L: 13.3379 
 
 Surface and Volume Properties
  Accessible surface: 422.478  Positive charged surface: 182.033  Negative charged surface: 240.445  Volume: 208.125
  Hydrophobic surface: 241.883  Hydrophilic surface: 180.595
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.