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PUBCHEM-ZINC03608643

 MMsINC code: MMs03021005
Type: Neutral
Formula: C19H23ClN2O
SMILES:   Clc1ccccc1CNC(=O)C(N(CC)CC)c1ccccc1
InChI:   InChI=1/C19H23ClN2O/c1-3-22(4-2)18(15-10-6-5-7-11-15)19(23)21-14-16-12-8-9-13-17(16)20/h5-13,18H,3-4,14H2,1-2H3,(H,21,23)/t18-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=105.005 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.859 g/mol  logS: -4.58551  SlogP: 4.4012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120549  Sterimol/B1: 2.77871  Sterimol/B2: 4.54637  Sterimol/B3: 4.62575
  Sterimol/B4: 6.08675  Sterimol/L: 14.8901 
 
 Surface and Volume Properties
  Accessible surface: 572.386  Positive charged surface: 348  Negative charged surface: 224.386  Volume: 329
  Hydrophobic surface: 511.471  Hydrophilic surface: 60.915
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03021006
PUBCHEM-ZINC03608643