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APOLLO-ZINC04289285

 MMsINC code: MMs00058691
Type: Neutral
Formula: C11H8ClNO2
SMILES:   Clc1ccccc1-c1noc(c1)C(=O)C
InChI:   InChI=1/C11H8ClNO2/c1-7(14)11-6-10(13-15-11)8-4-2-3-5-9(8)12/h2-6H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.461 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.643 g/mol  logS: -3.62589  SlogP: 3.1976  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00650297  Sterimol/B1: 2.33095  Sterimol/B2: 2.415  Sterimol/B3: 4.0201
  Sterimol/B4: 4.6366  Sterimol/L: 13.8957 
 
 Surface and Volume Properties
  Accessible surface: 402.088  Positive charged surface: 184.73  Negative charged surface: 217.358  Volume: 194.375
  Hydrophobic surface: 341.327  Hydrophilic surface: 60.761
 
 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.