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PUBCHEM-ZINC05688778

 MMsINC code: MMs03349165
Type: Neutral
Formula: C17H17Cl2N
SMILES:   Clc1ccc(cc1)C(=CCN(C)C)c1ccc(Cl)cc1
InChI:   InChI=1/C17H17Cl2N/c1-20(2)12-11-17(13-3-7-15(18)8-4-13)14-5-9-16(19)10-6-14/h3-11H,12H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=66.3863 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.236 g/mol  logS: -5.00822  SlogP: 4.80399  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.160729  Sterimol/B1: 2.08264  Sterimol/B2: 3.44829  Sterimol/B3: 3.92833
  Sterimol/B4: 10.5178  Sterimol/L: 14.4065 
 
 Surface and Volume Properties
  Accessible surface: 553.35  Positive charged surface: 303.528  Negative charged surface: 249.822  Volume: 296.375
  Hydrophobic surface: 543.169  Hydrophilic surface: 10.181
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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


MMs03349166
PUBCHEM-ZINC05688778