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NCID-ZINC01666049

 MMsINC code: MMs02302187
Type: Neutral
Formula: C13H15Cl2NO
SMILES:   Clc1cc(ccc1Cl)C(=O)CN1CCCCC1
InChI:   InChI=1/C13H15Cl2NO/c14-11-5-4-10(8-12(11)15)13(17)9-16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.5027 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.175 g/mol  logS: -3.81041  SlogP: 3.662  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0456631  Sterimol/B1: 2.4557  Sterimol/B2: 2.78527  Sterimol/B3: 3.55472
  Sterimol/B4: 6.10435  Sterimol/L: 15.5109 
 
 Surface and Volume Properties
  Accessible surface: 476.568  Positive charged surface: 261.686  Negative charged surface: 214.881  Volume: 247
  Hydrophobic surface: 450.082  Hydrophilic surface: 26.486
 
 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


MMs02302188
NCID-ZINC01666049