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PUBCHEM-ZINC06762905

 MMsINC code: MMs03856331
Type: Ionized
Formula: C11H19N2O3-
SMILES:   O=C([O-])C(NC(=O)N1CCCCC1)C(C)C
InChI:   InChI=1/C11H20N2O3/c1-8(2)9(10(14)15)12-11(16)13-6-4-3-5-7-13/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)/p-1/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=5.68962 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.284 g/mol  logS: -1.23953  SlogP: -0.0436  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145431  Sterimol/B1: 2.81358  Sterimol/B2: 3.46467  Sterimol/B3: 4.2438
  Sterimol/B4: 5.00208  Sterimol/L: 12.5408 
 
 Surface and Volume Properties
  Accessible surface: 445.144  Positive charged surface: 310.308  Negative charged surface: 134.836  Volume: 225.25
  Hydrophobic surface: 305.708  Hydrophilic surface: 139.436
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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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MMs03856330
PUBCHEM-ZINC06762905