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CHEMBRIDGE-ZINC02464076

 MMsINC code: MMs00709548
Type: Neutral
Formula: C18H33N3
SMILES:   N(Cc1ccccc1C)(CCCN(C)C)CCCN(C)C
InChI:   InChI=1/C18H33N3/c1-17-10-6-7-11-18(17)16-21(14-8-12-19(2)3)15-9-13-20(4)5/h6-7,10-11H,8-9,12-16H2,1-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.1499 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.483 g/mol  logS: -1.92957  SlogP: 2.96682  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105588  Sterimol/B1: 2.74161  Sterimol/B2: 3.50204  Sterimol/B3: 5.04919
  Sterimol/B4: 6.71241  Sterimol/L: 16.3459 
 
 Surface and Volume Properties
  Accessible surface: 592.236  Positive charged surface: 518.089  Negative charged surface: 74.1463  Volume: 336.25
  Hydrophobic surface: 582.743  Hydrophilic surface: 9.4929999999999
 
 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


MMs00709549
CHEMBRIDGE-ZINC02464076