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NCID-ZINC00393853

 MMsINC code: MMs02215049
Type: Neutral
Formula: C10H13ClO2
SMILES:   Clc1cc(OCC)ccc1OCC
InChI:   InChI=1/C10H13ClO2/c1-3-12-8-5-6-10(13-4-2)9(11)7-8/h5-7H,3-4H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.0582 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.665 g/mol  logS: -2.87435  SlogP: 3.1374  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0195476  Sterimol/B1: 2.37445  Sterimol/B2: 2.37684  Sterimol/B3: 3.61456
  Sterimol/B4: 5.31838  Sterimol/L: 14.4733 
 
 Surface and Volume Properties
  Accessible surface: 424.215  Positive charged surface: 258.148  Negative charged surface: 166.067  Volume: 193.5
  Hydrophobic surface: 368.04  Hydrophilic surface: 56.175
 
 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.