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ENAMINE-ZINC03443879

 MMsINC code: MMs01445991
Type: Neutral
Formula: C15H19NO8S
SMILES:   s1c(C(OC)=O)c(C)c(C(OC)=O)c1NC(=O)COC(=O)COCC
InChI:   InChI=1/C15H19NO8S/c1-5-23-7-10(18)24-6-9(17)16-13-11(14(19)21-3)8(2)12(25-13)15(20)22-4/h5-7H2,1-4H3,(H,16,17)

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Potential Energy
Epot(MMFF94)=93.6791 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.382 g/mol  logS: -3.50685  SlogP: 1.14792  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0135173  Sterimol/B1: 2.98664  Sterimol/B2: 3.21859  Sterimol/B3: 6.72533
  Sterimol/B4: 6.89796  Sterimol/L: 19.0895 
 
 Surface and Volume Properties
  Accessible surface: 663.36  Positive charged surface: 463.685  Negative charged surface: 199.674  Volume: 321.375
  Hydrophobic surface: 480.593  Hydrophilic surface: 182.767
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.