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NANOSIN-ZINC04258064

 MMsINC code: MMs02205645
Type: Neutral
Formula: C24H44N4O10
SMILES:   O1CCN(CCOCCOCCN(CCOCC1)CC(=O)NCC(OCC)=O)CC(=O)NCC(OCC)=O
InChI:   InChI=1/C24H44N4O10/c1-3-37-23(31)17-25-21(29)19-27-5-9-33-13-15-35-11-7-28(8-12-36-16-14-34-10-6-27)20-22(30)26-18-24(32)38-4-2/h3-20H2,1-2H3,(H,25,29)(H,26,30)

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Potential Energy
Epot(MMFF94)=200.267 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 548.634 g/mol  logS: -1.92162  SlogP: -1.971  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0163875  Sterimol/B1: 2.56961  Sterimol/B2: 3.84264  Sterimol/B3: 5.88063
  Sterimol/B4: 6.01872  Sterimol/L: 31.5806 
 
 Surface and Volume Properties
  Accessible surface: 953.867  Positive charged surface: 802.82  Negative charged surface: 151.047  Volume: 525.125
  Hydrophobic surface: 728.321  Hydrophilic surface: 225.546
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 10  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs02205646
NANOSIN-ZINC04258064