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ASINEX-ZINC02518430

 MMsINC code: MMs00274280
Type: Neutral
Formula: C11H25N3
SMILES:   N(CCCN(C)C)C1CCN(CC1)C
InChI:   InChI=1/C11H25N3/c1-13(2)8-4-7-12-11-5-9-14(3)10-6-11/h11-12H,4-10H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=11.1344 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.342 g/mol  logS: 0.09259  SlogP: 0.6219  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0391865  Sterimol/B1: 2.85659  Sterimol/B2: 3.20099  Sterimol/B3: 3.26598
  Sterimol/B4: 4.25202  Sterimol/L: 15.9814 
 
 Surface and Volume Properties
  Accessible surface: 472.119  Positive charged surface: 447.272  Negative charged surface: 24.8473  Volume: 233.5
  Hydrophobic surface: 451.627  Hydrophilic surface: 20.492
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00274281
ASINEX-ZINC02518430