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PUBCHEM-ZINC01982321

 MMsINC code: MMs02837190
Type: Neutral
Formula: C18H12Cl2N2O4
SMILES:   ClC1=C(Nc2ccc(cc2)C(OC)=O)C(=O)N(C1=O)c1cc(Cl)ccc1
InChI:   InChI=1/C18H12Cl2N2O4/c1-26-18(25)10-5-7-12(8-6-10)21-15-14(20)16(23)22(17(15)24)13-4-2-3-11(19)9-13/h2-9,21H,1H3

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Potential Energy
Epot(MMFF94)=101.605 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.21 g/mol  logS: -6.12615  SlogP: 3.6712  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0432667  Sterimol/B1: 2.8665  Sterimol/B2: 4.05648  Sterimol/B3: 4.24955
  Sterimol/B4: 7.9673  Sterimol/L: 17.8468 
 
 Surface and Volume Properties
  Accessible surface: 601.081  Positive charged surface: 281.333  Negative charged surface: 319.747  Volume: 324.875
  Hydrophobic surface: 487.718  Hydrophilic surface: 113.363
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.