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PUBCHEM-ZINC05912220

 MMsINC code: MMs03441521
Type: Neutral
Formula: C11H20N2O3
SMILES:   OC(=O)C(NC(=O)NC1CCCCC1C)C
InChI:   InChI=1/C11H20N2O3/c1-7-5-3-4-6-9(7)13-11(16)12-8(2)10(14)15/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)=-1.36106 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.292 g/mol  logS: -1.60029  SlogP: 1.3374  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.112774  Sterimol/B1: 2.08496  Sterimol/B2: 2.97468  Sterimol/B3: 3.98126
  Sterimol/B4: 6.754  Sterimol/L: 13.2689 
 
 Surface and Volume Properties
  Accessible surface: 455.197  Positive charged surface: 322.031  Negative charged surface: 133.166  Volume: 227.125
  Hydrophobic surface: 283.058  Hydrophilic surface: 172.139
 
 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


MMs03441522
PUBCHEM-ZINC05912220