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CHEMBRIDGE-ZINC03683606

 MMsINC code: MMs00754396
Type: Neutral
Formula: C19H33N3
SMILES:   N(CCN(CC)CC)(C)C1CCN(CC1)Cc1ccccc1
InChI:   InChI=1/C19H33N3/c1-4-21(5-2)16-15-20(3)19-11-13-22(14-12-19)17-18-9-7-6-8-10-18/h6-10,19H,4-5,11-17H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.9105 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 303.494 g/mol  logS: -2.25891  SlogP: 3.191  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0965959  Sterimol/B1: 2.35589  Sterimol/B2: 3.93639  Sterimol/B3: 6.03119
  Sterimol/B4: 6.21727  Sterimol/L: 16.0781 
 
 Surface and Volume Properties
  Accessible surface: 624.018  Positive charged surface: 488.485  Negative charged surface: 135.533  Volume: 344.5
  Hydrophobic surface: 572.721  Hydrophilic surface: 51.297
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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


MMs00754397
CHEMBRIDGE-ZINC03683606