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NCID-ZINC01601381

 MMsINC code: MMs02254312
Type: Neutral
Formula: C10H24N2
SMILES:   N(C(C(NCCC)C)C)CCC
InChI:   InChI=1/C10H24N2/c1-5-7-11-9(3)10(4)12-8-6-2/h9-12H,5-8H2,1-4H3/t9-,10+

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Potential Energy
Epot(MMFF94)=6.0111 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.316 g/mol  logS: -0.8368  SlogP: 1.7626  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.054423  Sterimol/B1: 2.72383  Sterimol/B2: 3.23942  Sterimol/B3: 3.8489
  Sterimol/B4: 4.00571  Sterimol/L: 15.7132 
 
 Surface and Volume Properties
  Accessible surface: 451.358  Positive charged surface: 352.73  Negative charged surface: 98.6283  Volume: 213
  Hydrophobic surface: 341.441  Hydrophilic surface: 109.917
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02254313
NCID-ZINC01601381