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NANOSIN-ZINC03074401

 MMsINC code: MMs02202537
Type: Neutral
Formula: C10H16N2O6
SMILES:   O(C(=O)CNC(=O)CCC(=O)NCC(OC)=O)C
InChI:   InChI=1/C10H16N2O6/c1-17-9(15)5-11-7(13)3-4-8(14)12-6-10(16)18-2/h3-6H2,1-2H3,(H,11,13)(H,12,14)

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Potential Energy
Epot(MMFF94)=31.4673 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.246 g/mol  logS: -0.51586  SlogP: -1.655  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0105883  Sterimol/B1: 2.37523  Sterimol/B2: 2.37542  Sterimol/B3: 3.18784
  Sterimol/B4: 3.68534  Sterimol/L: 20.5297 
 
 Surface and Volume Properties
  Accessible surface: 521.353  Positive charged surface: 404.558  Negative charged surface: 116.795  Volume: 232.375
  Hydrophobic surface: 325.833  Hydrophilic surface: 195.52
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.