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NCID-ZINC01716825

 MMsINC code: MMs02342396
Type: Neutral
Formula: C14H32N2
SMILES:   N(N)(C(CCCCC)C)C(CCCCC)C
InChI:   InChI=1/C14H32N2/c1-5-7-9-11-13(3)16(15)14(4)12-10-8-6-2/h13-14H,5-12,15H2,1-4H3/t13-,14-/m0/s1

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Potential Energy
Epot(MMFF94)=59.5603 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.424 g/mol  logS: -4.14111  SlogP: 4.0997  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.08226  Sterimol/B1: 2.41539  Sterimol/B2: 2.56637  Sterimol/B3: 4.776
  Sterimol/B4: 6.97921  Sterimol/L: 17.0706 
 
 Surface and Volume Properties
  Accessible surface: 534.279  Positive charged surface: 425.135  Negative charged surface: 109.144  Volume: 279.875
  Hydrophobic surface: 424.458  Hydrophilic surface: 109.821
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02342397
NCID-ZINC01716825