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NCID-ZINC01684841

 MMsINC code: MMs02318148
Type: Neutral
Formula: C12H15Cl4NO
SMILES:   Clc1cc(Cl)ccc1OCCN(CCCl)CCCl
InChI:   InChI=1/C12H15Cl4NO/c13-3-5-17(6-4-14)7-8-18-12-2-1-10(15)9-11(12)16/h1-2,9H,3-8H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.2046 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.07 g/mol  logS: -4.33229  SlogP: 4.1518  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.154525  Sterimol/B1: 3.16685  Sterimol/B2: 4.539  Sterimol/B3: 4.89684
  Sterimol/B4: 5.42885  Sterimol/L: 15.5428 
 
 Surface and Volume Properties
  Accessible surface: 540.093  Positive charged surface: 220.886  Negative charged surface: 319.207  Volume: 279.875
  Hydrophobic surface: 393.178  Hydrophilic surface: 146.915
 
 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


MMs02318149
NCID-ZINC01684841