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PUBCHEM-ZINC01543308

 MMsINC code: MMs02814098
Type: Ionized
Formula: C14H23N2O5-
SMILES:   O=C(NC(C(=O)[O-])C)C(CC1CCCCC1)CC(=O)NO
InChI:   InChI=1/C14H24N2O5/c1-9(14(19)20)15-13(18)11(8-12(17)16-21)7-10-5-3-2-4-6-10/h9-11,21H,2-8H2,1H3,(H,15,18)(H,16,17)(H,19,20)/p-1/t9-,11+/m0/s1

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Potential Energy
Epot(MMFF94)=35.2825 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.347 g/mol  logS: -3.38345  SlogP: -0.2769  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163462  Sterimol/B1: 2.88992  Sterimol/B2: 3.56317  Sterimol/B3: 5.10021
  Sterimol/B4: 9.10923  Sterimol/L: 13.0429 
 
 Surface and Volume Properties
  Accessible surface: 547.147  Positive charged surface: 353.093  Negative charged surface: 194.055  Volume: 286.875
  Hydrophobic surface: 305.577  Hydrophilic surface: 241.57
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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:


MMs02814096
PUBCHEM-ZINC01543308