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CHEMDIV-ZINC03648041

 MMsINC code: MMs00913733
Type: Neutral
Formula: C15H25N3O6
SMILES:   O(C(C)(C)C)C(=O)NCC(=O)N1CCCC1C(=O)NCC(OC)=O
InChI:   InChI=1/C15H25N3O6/c1-15(2,3)24-14(22)17-8-11(19)18-7-5-6-10(18)13(21)16-9-12(20)23-4/h10H,5-9H2,1-4H3,(H,16,21)(H,17,22)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=68.9729 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.38 g/mol  logS: -2.02126  SlogP: -0.2087  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.031723  Sterimol/B1: 2.57062  Sterimol/B2: 4.11092  Sterimol/B3: 5.24074
  Sterimol/B4: 5.68113  Sterimol/L: 19.5001 
 
 Surface and Volume Properties
  Accessible surface: 635.503  Positive charged surface: 472.621  Negative charged surface: 162.882  Volume: 321.625
  Hydrophobic surface: 424.403  Hydrophilic surface: 211.1
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.