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ASINEX-ZINC04969162

 MMsINC code: MMs00418192
Type: Neutral
Formula: C14H28N2O2
SMILES:   O1CCCC1CNC(C(=O)N(C(C)C)C(C)C)C
InChI:   InChI=1/C14H28N2O2/c1-10(2)16(11(3)4)14(17)12(5)15-9-13-7-6-8-18-13/h10-13,15H,6-9H2,1-5H3/t12-,13+/m0/s1

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Potential Energy
Epot(MMFF94)=76.0144 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.39 g/mol  logS: -1.75513  SlogP: 1.7889  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111947  Sterimol/B1: 2.46521  Sterimol/B2: 3.59627  Sterimol/B3: 4.28838
  Sterimol/B4: 6.5174  Sterimol/L: 14.3541 
 
 Surface and Volume Properties
  Accessible surface: 522.636  Positive charged surface: 388.134  Negative charged surface: 134.503  Volume: 282.375
  Hydrophobic surface: 397.894  Hydrophilic surface: 124.742
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs00418193
ASINEX-ZINC04969162