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NCID-ZINC01671990

 MMsINC code: MMs02308082
Type: Neutral
Formula: C20H27ClN2O
SMILES:   Clc1ccc(cc1)CN(Cc1ccc(N(CC)CC)cc1)CCO
InChI:   InChI=1/C20H27ClN2O/c1-3-23(4-2)20-11-7-18(8-12-20)16-22(13-14-24)15-17-5-9-19(21)10-6-17/h5-12,24H,3-4,13-16H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.6794 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.902 g/mol  logS: -4.13781  SlogP: 4.7135  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107232  Sterimol/B1: 3.38267  Sterimol/B2: 3.83293  Sterimol/B3: 4.26147
  Sterimol/B4: 8.43927  Sterimol/L: 15.4218 
 
 Surface and Volume Properties
  Accessible surface: 633.321  Positive charged surface: 406.53  Negative charged surface: 226.791  Volume: 355.375
  Hydrophobic surface: 518.357  Hydrophilic surface: 114.964
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs02308083
NCID-ZINC01671990