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ASINEX-ZINC04298857

 MMsINC code: MMs00323440
Type: Neutral
Formula: C11H10ClNO2
SMILES:   Clc1cc(N)ccc1-c1oc(cc1)CO
InChI:   InChI=1/C11H10ClNO2/c12-10-5-7(13)1-3-9(10)11-4-2-8(6-14)15-11/h1-5,14H,6,13H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.9975 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.659 g/mol  logS: -3.75782  SlogP: 2.9409  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0508257  Sterimol/B1: 2.41291  Sterimol/B2: 2.60137  Sterimol/B3: 3.6202
  Sterimol/B4: 5.9398  Sterimol/L: 13.6005 
 
 Surface and Volume Properties
  Accessible surface: 424.417  Positive charged surface: 242.4  Negative charged surface: 182.016  Volume: 201.125
  Hydrophobic surface: 287.771  Hydrophilic surface: 136.646
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.