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NCID-ZINC01736087

 MMsINC code: MMs02357764
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+/m1/s1

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Potential Energy
Epot(MMFF94)=86.3126 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: 0.106859  Sterimol/B1: 3.9168  Sterimol/B2: 4.08215  Sterimol/B3: 4.33785
  Sterimol/B4: 7.42494  Sterimol/L: 15.2481 
 
 Surface and Volume Properties
  Accessible surface: 589.544  Positive charged surface: 407.377  Negative charged surface: 182.167  Volume: 301.375
  Hydrophobic surface: 382.412  Hydrophilic surface: 207.132
 
 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.