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PUBCHEM-ZINC06857424

 MMsINC code: MMs03877848
Type: Neutral
Formula: C15H23Cl2N
SMILES:   Clc1c(cccc1Cl)CNC(CC(C)(C)C)(C)C
InChI:   InChI=1/C15H23Cl2N/c1-14(2,3)10-15(4,5)18-9-11-7-6-8-12(16)13(11)17/h6-8,18H,9-10H2,1-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=104.075 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.262 g/mol  logS: -5.32302  SlogP: 5.5642  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.234535  Sterimol/B1: 2.66087  Sterimol/B2: 3.90966  Sterimol/B3: 4.59252
  Sterimol/B4: 6.36957  Sterimol/L: 13.0178 
 
 Surface and Volume Properties
  Accessible surface: 494.97  Positive charged surface: 266.222  Negative charged surface: 228.748  Volume: 286.375
  Hydrophobic surface: 416.07  Hydrophilic surface: 78.9
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03877849
PUBCHEM-ZINC06857424