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PUBCHEM-ZINC06041191

 MMsINC code: MMs03508783
Type: Neutral
Formula: C24H48N4O2
SMILES:   O=C(NCCCN1CCN(CC1)CCCNC(=O)CCCCCC)CCCCCC
InChI:   InChI=1/C24H48N4O2/c1-3-5-7-9-13-23(29)25-15-11-17-27-19-21-28(22-20-27)18-12-16-26-24(30)14-10-8-6-4-2/h3-22H2,1-2H3,(H,25,29)(H,26,30)

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Potential Energy
Epot(MMFF94)=35.9624 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.674 g/mol  logS: -4.82386  SlogP: 3.5574  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00940391  Sterimol/B1: 2.43904  Sterimol/B2: 2.92813  Sterimol/B3: 3.21445
  Sterimol/B4: 9.38175  Sterimol/L: 31.5849 
 
 Surface and Volume Properties
  Accessible surface: 904.385  Positive charged surface: 764.123  Negative charged surface: 140.261  Volume: 470.375
  Hydrophobic surface: 756.819  Hydrophilic surface: 147.566
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: 1
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Ions/Tautomers related molecules


MMs03508784
PUBCHEM-ZINC06041191