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OAKWOOD-ZINC04290673

 MMsINC code: MMs02551266
Type: Neutral
Formula: C10H24N2
SMILES:   N(CCCCCC)CCNCC
InChI:   InChI=1/C10H24N2/c1-3-5-6-7-8-12-10-9-11-4-2/h11-12H,3-10H2,1-2H3

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Potential Energy
Epot(MMFF94)=-1.92011 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.316 g/mol  logS: -1.52627  SlogP: 1.7658  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0225019  Sterimol/B1: 2.44273  Sterimol/B2: 2.45589  Sterimol/B3: 2.60537
  Sterimol/B4: 3.09859  Sterimol/L: 18.3083 
 
 Surface and Volume Properties
  Accessible surface: 479.023  Positive charged surface: 405.409  Negative charged surface: 73.6147  Volume: 217.625
  Hydrophobic surface: 395.541  Hydrophilic surface: 83.482
 
 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


MMs02551267
OAKWOOD-ZINC04290673