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PUBCHEM-ZINC05759537

 MMsINC code: MMs03373384
Type: Neutral
Formula: C13H26N4O2
SMILES:   O=C(NCC(=O)N)C(NCC1NCCC1)CC(C)C
InChI:   InChI=1/C13H26N4O2/c1-9(2)6-11(13(19)17-8-12(14)18)16-7-10-4-3-5-15-10/h9-11,15-16H,3-8H2,1-2H3,(H2,14,18)(H,17,19)/t10-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=59.5216 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.377 g/mol  logS: -1.68735  SlogP: -0.6558  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0869828  Sterimol/B1: 2.23013  Sterimol/B2: 3.04282  Sterimol/B3: 4.85902
  Sterimol/B4: 6.59521  Sterimol/L: 16.293 
 
 Surface and Volume Properties
  Accessible surface: 547.558  Positive charged surface: 423.142  Negative charged surface: 124.416  Volume: 279.75
  Hydrophobic surface: 334.667  Hydrophilic surface: 212.891
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03373385
PUBCHEM-ZINC05759537