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NCID-ZINC01736092

 MMsINC code: MMs02357769
Type: Neutral
Formula: C16H25NO7
SMILES:   O=C1NC(C(OCC)=O)(C(OCC)=O)C(C(C)C)C1C(OCC)=O
InChI:   InChI=1/C16H25NO7/c1-6-22-13(19)10-11(9(4)5)16(17-12(10)18,14(20)23-7-2)15(21)24-8-3/h9-11H,6-8H2,1-5H3,(H,17,18)/t10-,11+/m0/s1

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Potential Energy
Epot(MMFF94)=143.384 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.376 g/mol  logS: -3.30855  SlogP: 0.4327  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103419  Sterimol/B1: 3.19426  Sterimol/B2: 4.7191  Sterimol/B3: 5.01857
  Sterimol/B4: 6.87259  Sterimol/L: 15.3229 
 
 Surface and Volume Properties
  Accessible surface: 589.156  Positive charged surface: 410.618  Negative charged surface: 178.538  Volume: 315
  Hydrophobic surface: 379.424  Hydrophilic surface: 209.732
 
 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.