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ASINEX-ZINC04171576

 MMsINC code: MMs00315073
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+/m1/s1

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Potential Energy
Epot(MMFF94)=93.8847 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: 0.0697017  Sterimol/B1: 2.97235  Sterimol/B2: 3.46751  Sterimol/B3: 3.91883
  Sterimol/B4: 8.87186  Sterimol/L: 16.2986 
 
 Surface and Volume Properties
  Accessible surface: 585.455  Positive charged surface: 410.447  Negative charged surface: 175.008  Volume: 308.625
  Hydrophobic surface: 349.43  Hydrophilic surface: 236.025
 
 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.