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CHEMBLOCK-ZINC00051088

 MMsINC code: MMs00489069
Type: Neutral
Formula: C15H11ClN2O4
SMILES:   Clc1cc2OC(=O)N(c2cc1)COC(=O)Nc1ccccc1
InChI:   InChI=1/C15H11ClN2O4/c16-10-6-7-12-13(8-10)22-15(20)18(12)9-21-14(19)17-11-4-2-1-3-5-11/h1-8H,9H2,(H,17,19)

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Potential Energy
Epot(MMFF94)=60.1511 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.716 g/mol  logS: -4.56941  SlogP: 3.865  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0784111  Sterimol/B1: 3.36814  Sterimol/B2: 3.3914  Sterimol/B3: 4.11957
  Sterimol/B4: 4.73483  Sterimol/L: 17.289 
 
 Surface and Volume Properties
  Accessible surface: 523.347  Positive charged surface: 268.386  Negative charged surface: 254.962  Volume: 268.375
  Hydrophobic surface: 409.557  Hydrophilic surface: 113.79
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.