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VITASM-ZINC04784822

 MMsINC code: MMs03965710
Type: Ionized
Formula: C14H23N2O5-
SMILES:   O(CC)C(=O)N1CCC(NC(=O)CC(CC(=O)[O-])C)CC1
InChI:   InChI=1/C14H24N2O5/c1-3-21-14(20)16-6-4-11(5-7-16)15-12(17)8-10(2)9-13(18)19/h10-11H,3-9H2,1-2H3,(H,15,17)(H,18,19)/p-1/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=-6.58103 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.347 g/mol  logS: -1.52322  SlogP: -0.1103  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0439054  Sterimol/B1: 2.27273  Sterimol/B2: 3.06932  Sterimol/B3: 3.52343
  Sterimol/B4: 6.28947  Sterimol/L: 19.1926 
 
 Surface and Volume Properties
  Accessible surface: 576.117  Positive charged surface: 404.786  Negative charged surface: 171.332  Volume: 287.375
  Hydrophobic surface: 371.262  Hydrophilic surface: 204.855
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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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Parent related molecule:


MMs03965709
VITASM-ZINC04784822