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CHEMBLOCK-ZINC04416867

 MMsINC code: MMs00551182
Type: Neutral
Formula: C24H44N2O2
SMILES:   O=C(NC1CCCCC1)CCCCCCCCCCC(=O)NC1CCCCC1
InChI:   InChI=1/C24H44N2O2/c27-23(25-21-15-9-7-10-16-21)19-13-5-3-1-2-4-6-14-20-24(28)26-22-17-11-8-12-18-22/h21-22H,1-20H2,(H,25,27)(H,26,28)

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Potential Energy
Epot(MMFF94)=10.159 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.628 g/mol  logS: -6.13666  SlogP: 5.7852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0103309  Sterimol/B1: 3.08587  Sterimol/B2: 3.36735  Sterimol/B3: 3.41465
  Sterimol/B4: 4.41955  Sterimol/L: 29.0708 
 
 Surface and Volume Properties
  Accessible surface: 826.351  Positive charged surface: 679.443  Negative charged surface: 146.908  Volume: 436.5
  Hydrophobic surface: 744.877  Hydrophilic surface: 81.474
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.