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ALFAAESAR-ZINC02560558

 MMsINC code: MMs00023759
Type: Neutral
Formula: C10H24N2
SMILES:   N(C(C)(C)C)CCNC(C)(C)C
InChI:   InChI=1/C10H24N2/c1-9(2,3)11-7-8-12-10(4,5)6/h11-12H,7-8H2,1-6H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.8443 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.316 g/mol  logS: -1.08768  SlogP: 1.7626  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116241  Sterimol/B1: 1.97567  Sterimol/B2: 3.29185  Sterimol/B3: 3.67892
  Sterimol/B4: 4.9592  Sterimol/L: 13.2289 
 
 Surface and Volume Properties
  Accessible surface: 437.158  Positive charged surface: 319.97  Negative charged surface: 117.187  Volume: 213.625
  Hydrophobic surface: 296.63  Hydrophilic surface: 140.528
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00023760
ALFAAESAR-ZINC02560558