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PUBCHEM-ZINC03724719

 MMsINC code: MMs03057562
Type: Neutral
Formula: C19H22Cl2N2O2
SMILES:   Clc1c(cccc1Cl)C(N1CCNCC1)c1c(OC)cccc1OC
InChI:   InChI=1/C19H22Cl2N2O2/c1-24-15-7-4-8-16(25-2)17(15)19(23-11-9-22-10-12-23)13-5-3-6-14(20)18(13)21/h3-8,19,22H,9-12H2,1-2H3/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=131.313 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.303 g/mol  logS: -4.50935  SlogP: 4.1007  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.50908  Sterimol/B1: 2.47918  Sterimol/B2: 4.4891  Sterimol/B3: 7.48725
  Sterimol/B4: 7.76352  Sterimol/L: 12.0394 
 
 Surface and Volume Properties
  Accessible surface: 575.691  Positive charged surface: 396.388  Negative charged surface: 179.303  Volume: 348.625
  Hydrophobic surface: 542.155  Hydrophilic surface: 33.536
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03057563
PUBCHEM-ZINC03724719