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CHEMBRIDGE-ZINC02932754

 MMsINC code: MMs00742308
Type: Neutral
Formula: C10H13Cl2NO2
SMILES:   Clc1cc(Cl)ccc1OCCNCCO
InChI:   InChI=1/C10H13Cl2NO2/c11-8-1-2-10(9(12)7-8)15-6-4-13-3-5-14/h1-2,7,13-14H,3-6H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.9264 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.125 g/mol  logS: -2.46824  SlogP: 1.9541  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0724534  Sterimol/B1: 2.89231  Sterimol/B2: 2.97551  Sterimol/B3: 4.23671
  Sterimol/B4: 5.33545  Sterimol/L: 15.1498 
 
 Surface and Volume Properties
  Accessible surface: 470.1  Positive charged surface: 269.534  Negative charged surface: 200.567  Volume: 220.125
  Hydrophobic surface: 406.754  Hydrophilic surface: 63.346
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00742309
CHEMBRIDGE-ZINC02932754