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ASINEX-ZINC02828179

 MMsINC code: MMs00278723
Type: Neutral
Formula: C11H23N3O
SMILES:   O=C(NCCCN(C)C)C1CCNCC1
InChI:   InChI=1/C11H23N3O/c1-14(2)9-3-6-13-11(15)10-4-7-12-8-5-10/h10,12H,3-9H2,1-2H3,(H,13,15)

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Potential Energy
Epot(MMFF94)=10.7733 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.325 g/mol  logS: 0.06143  SlogP: 0.0539  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0521807  Sterimol/B1: 2.17241  Sterimol/B2: 2.8073  Sterimol/B3: 4.33925
  Sterimol/B4: 4.79742  Sterimol/L: 15.6101 
 
 Surface and Volume Properties
  Accessible surface: 474.823  Positive charged surface: 426.972  Negative charged surface: 47.8507  Volume: 233.25
  Hydrophobic surface: 404.791  Hydrophilic surface: 70.032
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs00278724
ASINEX-ZINC02828179