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PUBCHEM-ZINC03724738

 MMsINC code: MMs03057564
Type: Neutral
Formula: C18H17Cl2F3N2
SMILES:   Clc1c(cccc1Cl)C(N1CCNCC1)c1ccccc1C(F)(F)F
InChI:   InChI=1/C18H17Cl2F3N2/c19-15-7-3-5-13(16(15)20)17(25-10-8-24-9-11-25)12-4-1-2-6-14(12)18(21,22)23/h1-7,17,24H,8-11H2/t17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=115.639 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.248 g/mol  logS: -5.46514  SlogP: 5.4138  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.344401  Sterimol/B1: 2.53644  Sterimol/B2: 2.81526  Sterimol/B3: 6.23088
  Sterimol/B4: 9.71168  Sterimol/L: 11.7658 
 
 Surface and Volume Properties
  Accessible surface: 540.812  Positive charged surface: 276.641  Negative charged surface: 264.171  Volume: 324.375
  Hydrophobic surface: 444.206  Hydrophilic surface: 96.606
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03057565
PUBCHEM-ZINC03724738