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APOLLO-ZINC00075408

 MMsINC code: MMs00042356
Type: Neutral
Formula: C11H9Cl2NO2
SMILES:   Clc1cccc(Cl)c1-c1noc(C)c1CO
InChI:   InChI=1/C11H9Cl2NO2/c1-6-7(5-15)11(14-16-6)10-8(12)3-2-4-9(10)13/h2-4,15H,5H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.112 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.104 g/mol  logS: -3.9794  SlogP: 3.71552  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12558  Sterimol/B1: 3.71126  Sterimol/B2: 3.9407  Sterimol/B3: 4.11344
  Sterimol/B4: 4.28662  Sterimol/L: 12.3436 
 
 Surface and Volume Properties
  Accessible surface: 428.283  Positive charged surface: 184.352  Negative charged surface: 243.931  Volume: 214.125
  Hydrophobic surface: 354.763  Hydrophilic surface: 73.52
 
 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.