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PUBCHEM-ZINC02572410

 MMsINC code: MMs02903135
Type: Ionized
Formula: C13H24NO4-
SMILES:   O(C(C)(C)C)C(=O)NC(CC(C)C)CCC(=O)[O-]
InChI:   InChI=1/C13H25NO4/c1-9(2)8-10(6-7-11(15)16)14-12(17)18-13(3,4)5/h9-10H,6-8H2,1-5H3,(H,14,17)(H,15,16)/p-1/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=1.01021 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.338 g/mol  logS: -2.72096  SlogP: 1.4559  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152424  Sterimol/B1: 2.48824  Sterimol/B2: 2.83499  Sterimol/B3: 4.31116
  Sterimol/B4: 10.3412  Sterimol/L: 11.9949 
 
 Surface and Volume Properties
  Accessible surface: 529.612  Positive charged surface: 356.648  Negative charged surface: 172.963  Volume: 270.875
  Hydrophobic surface: 322.183  Hydrophilic surface: 207.429
 
 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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Parent related molecule:


MMs02903134
PUBCHEM-ZINC02572410