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PUBCHEM-ZINC00207495

 MMsINC code: MMs02639534
Type: Neutral
Formula: C19H23ClN2O
SMILES:   Clc1cc(N2CCN(CC2)Cc2cc(C)c(OC)cc2)ccc1
InChI:   InChI=1/C19H23ClN2O/c1-15-12-16(6-7-19(15)23-2)14-21-8-10-22(11-9-21)18-5-3-4-17(20)13-18/h3-7,12-13H,8-11,14H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=147.449 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.859 g/mol  logS: -4.07206  SlogP: 4.24562  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.097782  Sterimol/B1: 2.25431  Sterimol/B2: 3.05944  Sterimol/B3: 6.01146
  Sterimol/B4: 6.03041  Sterimol/L: 17.1114 
 
 Surface and Volume Properties
  Accessible surface: 601.498  Positive charged surface: 402.55  Negative charged surface: 198.947  Volume: 328.875
  Hydrophobic surface: 578.271  Hydrophilic surface: 23.227
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs02639535
PUBCHEM-ZINC00207495