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PUBCHEM-ZINC00435459

 MMsINC code: MMs02683286
Type: Neutral
Formula: C11H8ClNO3
SMILES:   Clc1ccc(cc1)-c1nocc1C(OC)=O
InChI:   InChI=1/C11H8ClNO3/c1-15-11(14)9-6-16-13-10(9)7-2-4-8(12)5-3-7/h2-6H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.8798 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.642 g/mol  logS: -3.54243  SlogP: 2.7816  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.042945  Sterimol/B1: 2.42745  Sterimol/B2: 2.72173  Sterimol/B3: 3.12113
  Sterimol/B4: 6.61481  Sterimol/L: 13.2102 
 
 Surface and Volume Properties
  Accessible surface: 428.605  Positive charged surface: 205.701  Negative charged surface: 222.905  Volume: 205
  Hydrophobic surface: 371.418  Hydrophilic surface: 57.187
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.