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ENAMINE-ZINC04550163

 MMsINC code: MMs01547156
Type: Neutral
Formula: C11H23N3O
SMILES:   O=C(NC1CCCCC1)NCCN(C)C
InChI:   InChI=1/C11H23N3O/c1-14(2)9-8-12-11(15)13-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H2,12,13,15)

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Potential Energy
Epot(MMFF94)=-2.05462 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.325 g/mol  logS: -0.97336  SlogP: 1.1799  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0352542  Sterimol/B1: 2.98986  Sterimol/B2: 3.0609  Sterimol/B3: 3.06322
  Sterimol/B4: 4.5801  Sterimol/L: 16.1567 
 
 Surface and Volume Properties
  Accessible surface: 479.77  Positive charged surface: 416.538  Negative charged surface: 63.2318  Volume: 231.75
  Hydrophobic surface: 412.358  Hydrophilic surface: 67.412
 
 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


MMs01547157
ENAMINE-ZINC04550163