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PUBCHEM-ZINC02386662

 MMsINC code: MMs02886536
Type: Neutral
Formula: C14H23N3O6
SMILES:   O(C(C)(C)C)C(=O)NCC(=O)N1CCCC1C(=O)NCC(O)=O
InChI:   InChI=1/C14H23N3O6/c1-14(2,3)23-13(22)16-7-10(18)17-6-4-5-9(17)12(21)15-8-11(19)20/h9H,4-8H2,1-3H3,(H,15,21)(H,16,22)(H,19,20)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=68.8009 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.353 g/mol  logS: -1.60893  SlogP: -0.2971  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0414377  Sterimol/B1: 2.33332  Sterimol/B2: 4.90614  Sterimol/B3: 5.76744
  Sterimol/B4: 5.91  Sterimol/L: 16.8997 
 
 Surface and Volume Properties
  Accessible surface: 604.247  Positive charged surface: 426.678  Negative charged surface: 177.569  Volume: 303.375
  Hydrophobic surface: 338.632  Hydrophilic surface: 265.615
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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


MMs02886537
PUBCHEM-ZINC02386662