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CHEMBRIDGE-ZINC02898719

 MMsINC code: MMs00738399
Type: Neutral
Formula: C14H16Cl2N2O
SMILES:   Clc1cc(Cl)ccc1OCCCCCn1ccnc1
InChI:   InChI=1/C14H16Cl2N2O/c15-12-4-5-14(13(16)10-12)19-9-3-1-2-7-18-8-6-17-11-18/h4-6,8,10-11H,1-3,7,9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.1191 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.201 g/mol  logS: -3.80172  SlogP: 4.7056  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0314616  Sterimol/B1: 2.53988  Sterimol/B2: 3.39267  Sterimol/B3: 3.81615
  Sterimol/B4: 6.44598  Sterimol/L: 19.0559 
 
 Surface and Volume Properties
  Accessible surface: 556.281  Positive charged surface: 324.247  Negative charged surface: 232.034  Volume: 277
  Hydrophobic surface: 518.278  Hydrophilic surface: 38.003
 
 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.