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CHEMBRIDGE-ZINC02464074

 MMsINC code: MMs00709546
Type: Neutral
Formula: C19H35N3
SMILES:   N(Cc1cc(ccc1C)C)(CCCN(C)C)CCCN(C)C
InChI:   InChI=1/C19H35N3/c1-17-9-10-18(2)19(15-17)16-22(13-7-11-20(3)4)14-8-12-21(5)6/h9-10,15H,7-8,11-14,16H2,1-6H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.1909 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.51 g/mol  logS: -2.40349  SlogP: 3.27524  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0838761  Sterimol/B1: 2.9485  Sterimol/B2: 3.93662  Sterimol/B3: 5.41671
  Sterimol/B4: 8.17476  Sterimol/L: 16.4637 
 
 Surface and Volume Properties
  Accessible surface: 640.964  Positive charged surface: 539.271  Negative charged surface: 101.693  Volume: 357.375
  Hydrophobic surface: 629.434  Hydrophilic surface: 11.53
 
 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


MMs00709547
CHEMBRIDGE-ZINC02464074