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CHEMBRIDGE-ZINC03876478

 MMsINC code: MMs00755272
Type: Neutral
Formula: C15H18Cl2N2O
SMILES:   Clc1cc(Cl)ccc1OCCCCCCn1ccnc1
InChI:   InChI=1/C15H18Cl2N2O/c16-13-5-6-15(14(17)11-13)20-10-4-2-1-3-8-19-9-7-18-12-19/h5-7,9,11-12H,1-4,8,10H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.0816 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.228 g/mol  logS: -4.00349  SlogP: 5.0957  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.027263  Sterimol/B1: 2.56091  Sterimol/B2: 3.57921  Sterimol/B3: 3.6274
  Sterimol/B4: 6.53254  Sterimol/L: 19.7694 
 
 Surface and Volume Properties
  Accessible surface: 586.252  Positive charged surface: 350.135  Negative charged surface: 236.117  Volume: 293.25
  Hydrophobic surface: 548.41  Hydrophilic surface: 37.842
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.