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ACROSORGANICS-ZINC01728346

MMsINC code: MMs00011687

Type: Neutral
Formula: C10H16N2O4
SMILES:   OC(C(O)C(=O)NCC=C)C(=O)NCC=C
InChI:   InChI=1/C10H16N2O4/c1-3-5-11-9(15)7(13)8(14)10(16)12-6-4-2/h3-4,7-8,13-14H,1-2,5-6H2,(H,11,15)(H,12,16)/t7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=32.9444 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.248 g/mol  logS: -0.52306  SlogP: -1.6874  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0740584  Sterimol/B1: 2.41905  Sterimol/B2: 2.52988  Sterimol/B3: 4.00372
  Sterimol/B4: 5.36971  Sterimol/L: 15.1008 
 
 Surface and Volume Properties
  Accessible surface: 481.116  Positive charged surface: 289.161  Negative charged surface: 191.956  Volume: 221.25
  Hydrophobic surface: 205.386  Hydrophilic surface: 275.73
 
 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: no related molecules available.