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NCID-ZINC05437711

 MMsINC code: MMs02462169
Type: Neutral
Formula: C15H24N2O8
SMILES:   O(C(=O)CN(CC(OC)=O)C1CC1N(CC(OC)=O)CC(OC)=O)C
InChI:   InChI=1/C15H24N2O8/c1-22-12(18)6-16(7-13(19)23-2)10-5-11(10)17(8-14(20)24-3)9-15(21)25-4/h10-11H,5-9H2,1-4H3/t10-,11+

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Potential Energy
Epot(MMFF94)=154.262 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.363 g/mol  logS: -1.36961  SlogP: -1.5767  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.322867  Sterimol/B1: 2.22688  Sterimol/B2: 6.56149  Sterimol/B3: 7.55325
  Sterimol/B4: 7.89344  Sterimol/L: 15.0267 
 
 Surface and Volume Properties
  Accessible surface: 615.749  Positive charged surface: 527.551  Negative charged surface: 88.198  Volume: 328.5
  Hydrophobic surface: 508.553  Hydrophilic surface: 107.196
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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


MMs02462170
NCID-ZINC05437711