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ENAMINE-ZINC03168175

 MMsINC code: MMs01293340
Type: Neutral
Formula: C10H22N2O
SMILES:   O=C(NC)C(N(CC)CC)CCC
InChI:   InChI=1/C10H22N2O/c1-5-8-9(10(13)11-4)12(6-2)7-3/h9H,5-8H2,1-4H3,(H,11,13)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=46.7837 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.299 g/mol  logS: -1.35962  SlogP: 1.2429  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.363475  Sterimol/B1: 2.46145  Sterimol/B2: 3.78176  Sterimol/B3: 4.32253
  Sterimol/B4: 7.15611  Sterimol/L: 11.171 
 
 Surface and Volume Properties
  Accessible surface: 431.14  Positive charged surface: 343.236  Negative charged surface: 87.9044  Volume: 212.25
  Hydrophobic surface: 332.441  Hydrophilic surface: 98.699
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs01293341
ENAMINE-ZINC03168175