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PUBCHEM-ZINC06224653

 MMsINC code: MMs03619664
Type: Ionized
Formula: C13H23N2O3-
SMILES:   O=C([O-])C(NC(=O)NC1CCCCC1)C(CC)C
InChI:   InChI=1/C13H24N2O3/c1-3-9(2)11(12(16)17)15-13(18)14-10-7-5-4-6-8-10/h9-11H,3-8H2,1-2H3,(H,16,17)(H2,14,15,18)/p-1/t9-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=-1.29889 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.338 g/mol  logS: -2.57773  SlogP: 0.7829  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0985262  Sterimol/B1: 2.28462  Sterimol/B2: 3.30075  Sterimol/B3: 4.00304
  Sterimol/B4: 6.76435  Sterimol/L: 15.1786 
 
 Surface and Volume Properties
  Accessible surface: 514.699  Positive charged surface: 362.763  Negative charged surface: 151.936  Volume: 260.25
  Hydrophobic surface: 355.009  Hydrophilic surface: 159.69
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 2
 
 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:


MMs03619663
PUBCHEM-ZINC06224653