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PUBCHEM-ZINC06882588

 MMsINC code: MMs03886486
Type: Neutral
Formula: C11H15Cl2N
SMILES:   Clc1c(cccc1Cl)CNC(C)(C)C
InChI:   InChI=1/C11H15Cl2N/c1-11(2,3)14-7-8-5-4-6-9(12)10(8)13/h4-6,14H,7H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.9434 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.154 g/mol  logS: -3.57559  SlogP: 4.1479  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11221  Sterimol/B1: 2.35135  Sterimol/B2: 3.13695  Sterimol/B3: 3.93281
  Sterimol/B4: 6.18647  Sterimol/L: 12.283 
 
 Surface and Volume Properties
  Accessible surface: 432.583  Positive charged surface: 216.18  Negative charged surface: 216.403  Volume: 220.75
  Hydrophobic surface: 364.457  Hydrophilic surface: 68.126
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03886487
PUBCHEM-ZINC06882588