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NCID-ZINC05664709

 MMsINC code: MMs02485337
Type: Neutral
Formula: C32H60N4O4
SMILES:   O=C1NCCCCCCCC(=O)NCCCCCCCCNC(=O)CCCCCCCNC(=O)CCCCCC1
InChI:   InChI=1/C32H60N4O4/c37-29-21-13-5-3-11-19-27-35-31(39)23-15-7-8-16-24-32(40)36-28-20-12-4-6-14-22-30(38)34-26-18-10-2-1-9-17-25-33-29/h1-28H2,(H,33,37)(H,34,38)(H,35,39)(H,36,40)

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Potential Energy
Epot(MMFF94)=76.6956 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 564.856 g/mol  logS: -6.50034  SlogP: 5.8272  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0343325  Sterimol/B1: 3.26354  Sterimol/B2: 3.51376  Sterimol/B3: 7.23182
  Sterimol/B4: 11.6318  Sterimol/L: 18.9748 
 
 Surface and Volume Properties
  Accessible surface: 1075.48  Positive charged surface: 879.26  Negative charged surface: 196.219  Volume: 614
  Hydrophobic surface: 890.718  Hydrophilic surface: 184.762
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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: no related molecules available.