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ENAMINE-ZINC03349287

 MMsINC code: MMs01388503
Type: Neutral
Formula: C10H19N3O2
SMILES:   O=C(NC(=O)NC(C)C)CN1CCCC1
InChI:   InChI=1/C10H19N3O2/c1-8(2)11-10(15)12-9(14)7-13-5-3-4-6-13/h8H,3-7H2,1-2H3,(H2,11,12,14,15)

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Potential Energy
Epot(MMFF94)=21.4469 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.281 g/mol  logS: -1.09633  SlogP: 0.3164  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0354473  Sterimol/B1: 2.17556  Sterimol/B2: 2.52213  Sterimol/B3: 3.37635
  Sterimol/B4: 4.89408  Sterimol/L: 15.398 
 
 Surface and Volume Properties
  Accessible surface: 462.815  Positive charged surface: 357.341  Negative charged surface: 105.474  Volume: 215.375
  Hydrophobic surface: 323.94  Hydrophilic surface: 138.875
 
 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


MMs01388504
ENAMINE-ZINC03349287