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PUBCHEM-ZINC00580125

 MMsINC code: MMs02709408
Type: Neutral
Formula: C16H12Cl2N2O2
SMILES:   Clc1cc(N2C(c3cc(OC)ccc3NC2=O)=C)ccc1Cl
InChI:   InChI=1/C16H12Cl2N2O2/c1-9-12-8-11(22-2)4-6-15(12)19-16(21)20(9)10-3-5-13(17)14(18)7-10/h3-8H,1H2,2H3,(H,19,21)

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Potential Energy
Epot(MMFF94)=90.6283 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.19 g/mol  logS: -5.3492  SlogP: 5.0248  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0595449  Sterimol/B1: 3.01155  Sterimol/B2: 3.69942  Sterimol/B3: 4.66043
  Sterimol/B4: 5.48076  Sterimol/L: 17.0405 
 
 Surface and Volume Properties
  Accessible surface: 530.465  Positive charged surface: 260.507  Negative charged surface: 269.958  Volume: 285.5
  Hydrophobic surface: 429.949  Hydrophilic surface: 100.516
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.