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PUBCHEM-ZINC05849523

 MMsINC code: MMs03415919
Type: Neutral
Formula: C11H18N4O4
SMILES:   O=C(NCC(=O)NCC=O)C1N(CCC1)C(=O)CN
InChI:   InChI=1/C11H18N4O4/c12-6-10(18)15-4-1-2-8(15)11(19)14-7-9(17)13-3-5-16/h5,8H,1-4,6-7,12H2,(H,13,17)(H,14,19)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=79.0744 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.289 g/mol  logS: -0.27855  SlogP: -2.6326  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0364052  Sterimol/B1: 2.23877  Sterimol/B2: 3.00395  Sterimol/B3: 3.35
  Sterimol/B4: 7.42895  Sterimol/L: 16.5465 
 
 Surface and Volume Properties
  Accessible surface: 521.559  Positive charged surface: 388.82  Negative charged surface: 132.738  Volume: 248.375
  Hydrophobic surface: 266.702  Hydrophilic surface: 254.857
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03415920
PUBCHEM-ZINC05849523