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NCID-ZINC01674954

 MMsINC code: MMs02310334
Type: Neutral
Formula: C10H22N2
SMILES:   N(N)C1CC(CCC1C(C)C)C
InChI:   InChI=1/C10H22N2/c1-7(2)9-5-4-8(3)6-10(9)12-11/h7-10,12H,4-6,11H2,1-3H3/t8-,9+,10-/m1/s1

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Potential Energy
Epot(MMFF94)=43.2113 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.3 g/mol  logS: -2.4804  SlogP: 1.9105  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.199819  Sterimol/B1: 3.14235  Sterimol/B2: 3.49343  Sterimol/B3: 3.50131
  Sterimol/B4: 5.9208  Sterimol/L: 11.0594 
 
 Surface and Volume Properties
  Accessible surface: 396.152  Positive charged surface: 308.303  Negative charged surface: 87.8481  Volume: 199.625
  Hydrophobic surface: 253.216  Hydrophilic surface: 142.936
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs02310335
NCID-ZINC01674954