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ASINEX-ZINC04171578

 MMsINC code: MMs00315074
Type: Neutral
Formula: C15H24N2O7
SMILES:   O1C2C(OC1(C)C)C1OC(OC1OC2C(=O)NCC(=O)NC)(C)C
InChI:   InChI=1/C15H24N2O7/c1-14(2)21-8-9(22-14)11-13(24-15(3,4)23-11)20-10(8)12(19)17-6-7(18)16-5/h8-11,13H,6H2,1-5H3,(H,16,18)(H,17,19)/t8-,9+,10+,11+,13-/m0/s1

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Potential Energy
Epot(MMFF94)=186.958 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.364 g/mol  logS: -2.39689  SlogP: -0.7549  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111284  Sterimol/B1: 2.76085  Sterimol/B2: 4.34807  Sterimol/B3: 5.04426
  Sterimol/B4: 5.28398  Sterimol/L: 16.5811 
 
 Surface and Volume Properties
  Accessible surface: 549.821  Positive charged surface: 402.323  Negative charged surface: 147.498  Volume: 299.5
  Hydrophobic surface: 339.929  Hydrophilic surface: 209.892
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.