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NCID-ZINC05004728

 MMsINC code: MMs02426955
Type: Neutral
Formula: C11H20N2O3
SMILES:   O=C1NC(CCCCC(C(O)=O)C)C(N1)C
InChI:   InChI=1/C11H20N2O3/c1-7(10(14)15)5-3-4-6-9-8(2)12-11(16)13-9/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)/t7-,8-,9-/m1/s1

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Potential Energy
Epot(MMFF94)=0.780422 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.292 g/mol  logS: -1.28044  SlogP: 1.3374  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0724771  Sterimol/B1: 2.40768  Sterimol/B2: 3.18641  Sterimol/B3: 3.68316
  Sterimol/B4: 6.07173  Sterimol/L: 15.2156 
 
 Surface and Volume Properties
  Accessible surface: 475.812  Positive charged surface: 337.124  Negative charged surface: 138.688  Volume: 228.25
  Hydrophobic surface: 239.5  Hydrophilic surface: 236.312
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs02426956
NCID-ZINC05004728