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CHEMSTAR-ZINC04017643

 MMsINC code: MMs01088223
Type: Neutral
Formula: C34H46N2O8
SMILES:   O1CCN(CCOCCN(CC1)C(=O)CCCCC(OCc1ccccc1)=O)C(=O)CCCCC(OCc1ccc
cc1)=O
InChI:   InChI=1/C34H46N2O8/c37-31(15-7-9-17-33(39)43-27-29-11-3-1-4-12-29)35-19-23-41-25-21-36(22-26-42-24-20-35)32(38)16-8-10-18-34(40)44-28-30-13-5-2-6-14-30/h1-6,11-14H,7-10,15-28H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=153.509 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 610.748 g/mol  logS: -4.84472  SlogP: 4.8308  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.068888  Sterimol/B1: 2.48973  Sterimol/B2: 4.72534  Sterimol/B3: 5.22585
  Sterimol/B4: 15.4264  Sterimol/L: 22.4425 
 
 Surface and Volume Properties
  Accessible surface: 1058.75  Positive charged surface: 747.282  Negative charged surface: 311.464  Volume: 606
  Hydrophobic surface: 911.784  Hydrophilic surface: 146.966
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.