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CHEMBRIDGE-ZINC02178088

 MMsINC code: MMs00703503
Type: Neutral
Formula: C11H15ClFNO
SMILES:   Clc1cccc(F)c1CNCCCCO
InChI:   InChI=1/C11H15ClFNO/c12-10-4-3-5-11(13)9(10)8-14-6-1-2-7-15/h3-5,14-15H,1-2,6-8H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.3435 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.698 g/mol  logS: -2.35565  SlogP: 2.6076  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0638964  Sterimol/B1: 2.10145  Sterimol/B2: 3.76699  Sterimol/B3: 4.11145
  Sterimol/B4: 4.8363  Sterimol/L: 15.5188 
 
 Surface and Volume Properties
  Accessible surface: 462.374  Positive charged surface: 285.793  Negative charged surface: 176.581  Volume: 217.25
  Hydrophobic surface: 388.643  Hydrophilic surface: 73.731
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00703504
CHEMBRIDGE-ZINC02178088