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PUBCHEM-ZINC06039673

 MMsINC code: MMs03508499
Type: Neutral
Formula: C20H40N4O2
SMILES:   O=C(NCCCN1CCN(CC1)CCCNC(=O)CCCC)CCCC
InChI:   InChI=1/C20H40N4O2/c1-3-5-9-19(25)21-11-7-13-23-15-17-24(18-16-23)14-8-12-22-20(26)10-6-4-2/h3-18H2,1-2H3,(H,21,25)(H,22,26)

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Potential Energy
Epot(MMFF94)=35.965 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.566 g/mol  logS: -2.76298  SlogP: 1.997  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0131084  Sterimol/B1: 2.43895  Sterimol/B2: 2.94975  Sterimol/B3: 3.15728
  Sterimol/B4: 8.24636  Sterimol/L: 27.1287 
 
 Surface and Volume Properties
  Accessible surface: 782.42  Positive charged surface: 656.598  Negative charged surface: 125.822  Volume: 403.25
  Hydrophobic surface: 634.618  Hydrophilic surface: 147.802
 
 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


MMs03508500
PUBCHEM-ZINC06039673