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NCID-ZINC05662588

 MMsINC code: MMs02483572
Type: Neutral
Formula: C14H20N2O6
SMILES:   O(C(=O)C1N(CCC1)C(=O)C(=O)N1CCCC1C(OC)=O)C
InChI:   InChI=1/C14H20N2O6/c1-21-13(19)9-5-3-7-15(9)11(17)12(18)16-8-4-6-10(16)14(20)22-2/h9-10H,3-8H2,1-2H3/t9-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=96.9904 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.322 g/mol  logS: -1.6448  SlogP: -0.6856  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149962  Sterimol/B1: 2.31013  Sterimol/B2: 2.85722  Sterimol/B3: 5.72791
  Sterimol/B4: 7.11522  Sterimol/L: 14.3932 
 
 Surface and Volume Properties
  Accessible surface: 561.568  Positive charged surface: 447.835  Negative charged surface: 113.733  Volume: 285.875
  Hydrophobic surface: 468.55  Hydrophilic surface: 93.018
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.