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ASINEX-ZINC03898929

 MMsINC code: MMs00292744
Type: Neutral
Formula: C16H30N2O7
SMILES:   O1CCN(CCOCCOCCN(CC1)C(OCC)=O)C(OCC)=O
InChI:   InChI=1/C16H30N2O7/c1-3-24-15(19)17-5-9-21-10-6-18(16(20)25-4-2)8-12-23-14-13-22-11-7-17/h3-14H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.204 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.423 g/mol  logS: -1.10852  SlogP: 0.9668  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.442238  Sterimol/B1: 2.31096  Sterimol/B2: 4.06639  Sterimol/B3: 6.16914
  Sterimol/B4: 9.15542  Sterimol/L: 13.5475 
 
 Surface and Volume Properties
  Accessible surface: 604.725  Positive charged surface: 516.211  Negative charged surface: 88.5137  Volume: 349.625
  Hydrophobic surface: 502.467  Hydrophilic surface: 102.258
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0
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Ions/Tautomers related molecules: no related molecules available.