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ACROSORGANICS-ZINC01728345

 MMsINC code: MMs00011686
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+

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Potential Energy
Epot(MMFF94)=32.5769 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: 0.0399341  Sterimol/B1: 2.55299  Sterimol/B2: 3.79202  Sterimol/B3: 3.8112
  Sterimol/B4: 4.12271  Sterimol/L: 16.2299 
 
 Surface and Volume Properties
  Accessible surface: 473.967  Positive charged surface: 290.88  Negative charged surface: 183.087  Volume: 218.5
  Hydrophobic surface: 210.062  Hydrophilic surface: 263.905
 
 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.