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NCID-ZINC04428330

 MMsINC code: MMs02386747
Type: Neutral
Formula: C15H25NO7
SMILES:   O(C(C(=O)N(CC(OC(=O)C)C)CC(OC(=O)C)C)C)C(=O)C
InChI:   InChI=1/C15H25NO7/c1-9(21-12(4)17)7-16(8-10(2)22-13(5)18)15(20)11(3)23-14(6)19/h9-11H,7-8H2,1-6H3/t9-,10-,11+/m0/s1

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Potential Energy
Epot(MMFF94)=60.2812 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.365 g/mol  logS: -1.88534  SlogP: 0.6698  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.18997  Sterimol/B1: 2.06985  Sterimol/B2: 3.17874  Sterimol/B3: 5.19703
  Sterimol/B4: 11.2233  Sterimol/L: 14.0022 
 
 Surface and Volume Properties
  Accessible surface: 593.232  Positive charged surface: 368.265  Negative charged surface: 224.967  Volume: 318.25
  Hydrophobic surface: 420.13  Hydrophilic surface: 173.102
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.