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ENAMINE-ZINC06602997

 MMsINC code: MMs01684246
Type: Neutral
Formula: C21H28N2
SMILES:   N(Cc1ccc(cc1)CC)C1CCN(CC1)Cc1ccccc1
InChI:   InChI=1/C21H28N2/c1-2-18-8-10-19(11-9-18)16-22-21-12-14-23(15-13-21)17-20-6-4-3-5-7-20/h3-11,21-22H,2,12-17H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.0966 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.469 g/mol  logS: -4.33269  SlogP: 4.53597  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0441047  Sterimol/B1: 3.22647  Sterimol/B2: 3.76053  Sterimol/B3: 4.0918
  Sterimol/B4: 5.53042  Sterimol/L: 19.4473 
 
 Surface and Volume Properties
  Accessible surface: 629.234  Positive charged surface: 437.466  Negative charged surface: 191.768  Volume: 342.125
  Hydrophobic surface: 580.651  Hydrophilic surface: 48.583
 
 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


MMs01684247
ENAMINE-ZINC06602997