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ASINEX-ZINC04951927

 MMsINC code: MMs00411684
Type: Neutral
Formula: C10H19N3O3
SMILES:   O=C1N(CC(O)CN(C)C)C(=O)NC1(C)C
InChI:   InChI=1/C10H19N3O3/c1-10(2)8(15)13(9(16)11-10)6-7(14)5-12(3)4/h7,14H,5-6H2,1-4H3,(H,11,16)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=25.8636 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.28 g/mol  logS: -0.38426  SlogP: -0.7607  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.088965  Sterimol/B1: 2.33058  Sterimol/B2: 2.36835  Sterimol/B3: 4.18201
  Sterimol/B4: 5.65044  Sterimol/L: 13.9347 
 
 Surface and Volume Properties
  Accessible surface: 451.783  Positive charged surface: 347.615  Negative charged surface: 104.168  Volume: 223.125
  Hydrophobic surface: 295.517  Hydrophilic surface: 156.266
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs00411685
ASINEX-ZINC04951927