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AURORAFEINCHEMIE-ZINC05351004

 MMsINC code: MMs00474768
Type: Ionized
Formula: C13H23N2O3-
SMILES:   O=C([O-])C(NC(=O)N1CCCCCC1)C(CC)C
InChI:   InChI=1/C13H24N2O3/c1-3-10(2)11(12(16)17)14-13(18)15-8-6-4-5-7-9-15/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)/p-1/t10-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=12.3223 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.338 g/mol  logS: -1.95652  SlogP: 0.7366  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112534  Sterimol/B1: 2.56263  Sterimol/B2: 3.07602  Sterimol/B3: 4.07047
  Sterimol/B4: 6.63387  Sterimol/L: 13.6045 
 
 Surface and Volume Properties
  Accessible surface: 485.762  Positive charged surface: 344.691  Negative charged surface: 141.071  Volume: 261.25
  Hydrophobic surface: 348.754  Hydrophilic surface: 137.008
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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:


MMs00474767
AURORAFEINCHEMIE-ZINC05351004