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PUBCHEM-ZINC05912221

 MMsINC code: MMs03441524
Type: Ionized
Formula: C11H19N2O3-
SMILES:   O=C([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)/p-1/t7-,8-,9-/m1/s1

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Potential Energy
Epot(MMFF94)=-2.7822 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.284 g/mol  logS: -1.86074  SlogP: 0.0027  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0927168  Sterimol/B1: 2.26081  Sterimol/B2: 3.43845  Sterimol/B3: 4.02857
  Sterimol/B4: 6.51176  Sterimol/L: 14.3547 
 
 Surface and Volume Properties
  Accessible surface: 457.035  Positive charged surface: 311.135  Negative charged surface: 145.9  Volume: 225.125
  Hydrophobic surface: 289.991  Hydrophilic surface: 167.044
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs03441523
PUBCHEM-ZINC05912221