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MDPI-ZINC04204375

 MMsINC code: MMs02184128
Type: Neutral
Formula: C15H21NO10
SMILES:   O1C(C(=O)N)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1COC(=O)C
InChI:   InChI=1/C15H21NO10/c1-6(17)22-5-10-11(23-7(2)18)12(24-8(3)19)13(25-9(4)20)14(26-10)15(16)21/h10-14H,5H2,1-4H3,(H2,16,21)/t10-,11+,12+,13-,14-/m1/s1

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Potential Energy
Epot(MMFF94)=89.9094 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.33 g/mol  logS: -1.8227  SlogP: -1.4027  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145691  Sterimol/B1: 3.16274  Sterimol/B2: 3.67341  Sterimol/B3: 5.21043
  Sterimol/B4: 7.33562  Sterimol/L: 15.4509 
 
 Surface and Volume Properties
  Accessible surface: 613.843  Positive charged surface: 376.933  Negative charged surface: 236.91  Volume: 319.25
  Hydrophobic surface: 401.92  Hydrophilic surface: 211.923
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.