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CHEMBRIDGE-ZINC02894780

 MMsINC code: MMs00737520
Type: Neutral
Formula: C14H21Cl2NO2
SMILES:   Clc1cc(Cl)ccc1OCCOCCN(CC)CC
InChI:   InChI=1/C14H21Cl2NO2/c1-3-17(4-2)7-8-18-9-10-19-14-6-5-12(15)11-13(14)16/h5-6,11H,3-4,7-10H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.0971 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.233 g/mol  logS: -3.59879  SlogP: 3.7306  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133564  Sterimol/B1: 1.969  Sterimol/B2: 3.84677  Sterimol/B3: 5.63618
  Sterimol/B4: 6.55248  Sterimol/L: 15.8625 
 
 Surface and Volume Properties
  Accessible surface: 581.358  Positive charged surface: 355.641  Negative charged surface: 225.718  Volume: 290.625
  Hydrophobic surface: 536.148  Hydrophilic surface: 45.21
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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


MMs00737521
CHEMBRIDGE-ZINC02894780