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ACROSORGANICS-ZINC01661210

 MMsINC code: MMs00010346
Type: Neutral
Formula: C8H13NO5
SMILES:   O(C(=O)C(NC=O)C(OCC)=O)CC
InChI:   InChI=1/C8H13NO5/c1-3-13-7(11)6(9-5-10)8(12)14-4-2/h5-6H,3-4H2,1-2H3,(H,9,10)

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Potential Energy
Epot(MMFF94)=51.9996 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.194 g/mol  logS: -1.13015  SlogP: -0.7728  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113453  Sterimol/B1: 2.14393  Sterimol/B2: 3.21919  Sterimol/B3: 3.33863
  Sterimol/B4: 8.30275  Sterimol/L: 11.137 
 
 Surface and Volume Properties
  Accessible surface: 425.036  Positive charged surface: 318.418  Negative charged surface: 106.618  Volume: 184.875
  Hydrophobic surface: 248.46  Hydrophilic surface: 176.576
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: no related molecules available.