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NCID-ZINC05840855

 MMsINC code: MMs02505559
Type: Neutral
Formula: C20H38N4O4
SMILES:   OC(=O)CN1CCN2CCCCCCCCN(CC1)CCN(CC2)CC(O)=O
InChI:   InChI=1/C20H38N4O4/c25-19(26)17-23-13-9-21-7-5-3-1-2-4-6-8-22(11-15-23)12-16-24(14-10-21)18-20(27)28/h1-18H2,(H,25,26)(H,27,28)

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Potential Energy
Epot(MMFF94)=295.093 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.548 g/mol  logS: -1.30898  SlogP: 0.7314  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.372632  Sterimol/B1: 4.71389  Sterimol/B2: 4.94319  Sterimol/B3: 5.41688
  Sterimol/B4: 6.29574  Sterimol/L: 13.492 
 
 Surface and Volume Properties
  Accessible surface: 569.463  Positive charged surface: 448.373  Negative charged surface: 121.09  Volume: 387.5
  Hydrophobic surface: 383.406  Hydrophilic surface: 186.057
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 8  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


MMs02505560
NCID-ZINC05840855