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NCID-ZINC01736084

 MMsINC code: MMs02357761
Type: Neutral
Formula: C15H23NO7
SMILES:   O=C1NC(C(OCC)=O)(C(OCC)=O)C(CC)C1C(OCC)=O
InChI:   InChI=1/C15H23NO7/c1-5-9-10(12(18)21-6-2)11(17)16-15(9,13(19)22-7-3)14(20)23-8-4/h9-10H,5-8H2,1-4H3,(H,16,17)/t9-,10+/m0/s1

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Potential Energy
Epot(MMFF94)=67.3375 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.349 g/mol  logS: -2.79333  SlogP: 0.1867  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132302  Sterimol/B1: 2.39472  Sterimol/B2: 2.43759  Sterimol/B3: 6.3925
  Sterimol/B4: 8.73384  Sterimol/L: 16.2124 
 
 Surface and Volume Properties
  Accessible surface: 560.755  Positive charged surface: 391.366  Negative charged surface: 169.388  Volume: 304.625
  Hydrophobic surface: 356.45  Hydrophilic surface: 204.305
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.