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FDA-ZINC02037958

 MMsINC code: MMs01725795
Type: Neutral
Formula: C13H26N2O4
SMILES:   O(CC(CCC)(COC(=O)N)C)C(=O)NCCCC
InChI:   InChI=1/C13H26N2O4/c1-4-6-8-15-12(17)19-10-13(3,7-5-2)9-18-11(14)16/h4-10H2,1-3H3,(H2,14,16)(H,15,17)/t13-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-9.78886 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.361 g/mol  logS: -2.87526  SlogP: 2.4144  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0533995  Sterimol/B1: 2.9284  Sterimol/B2: 4.06537  Sterimol/B3: 4.18907
  Sterimol/B4: 5.30566  Sterimol/L: 19.0223 
 
 Surface and Volume Properties
  Accessible surface: 577.857  Positive charged surface: 434.089  Negative charged surface: 143.768  Volume: 281.625
  Hydrophobic surface: 344.394  Hydrophilic surface: 233.463
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.