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PUBCHEM-ZINC05273420

 MMsINC code: MMs03229086
Type: Neutral
Formula: C14H11ClN2O3
SMILES:   Clc1cc(ccc1O)C(=O)NNC(=O)c1ccccc1
InChI:   InChI=1/C14H11ClN2O3/c15-11-8-10(6-7-12(11)18)14(20)17-16-13(19)9-4-2-1-3-5-9/h1-8,18H,(H,16,19)(H,17,20)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=80.0977 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.706 g/mol  logS: -3.95574  SlogP: 2.1204  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00117941  Sterimol/B1: 2.097  Sterimol/B2: 2.23078  Sterimol/B3: 3.65107
  Sterimol/B4: 5.27429  Sterimol/L: 17.0923 
 
 Surface and Volume Properties
  Accessible surface: 507.933  Positive charged surface: 227.093  Negative charged surface: 280.84  Volume: 253.5
  Hydrophobic surface: 369.471  Hydrophilic surface: 138.462
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.