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IBS-ZINC06757878

 MMsINC code: MMs01968622
Type: Neutral
Formula: C15H25N3O6
SMILES:   O=C1N(CCC1)CCCNC(=O)NC(CCC(OC)=O)C(OC)=O
InChI:   InChI=1/C15H25N3O6/c1-23-13(20)7-6-11(14(21)24-2)17-15(22)16-8-4-10-18-9-3-5-12(18)19/h11H,3-10H2,1-2H3,(H2,16,17,22)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=8.36668 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.38 g/mol  logS: -1.00524  SlogP: -0.2071  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0372189  Sterimol/B1: 2.48864  Sterimol/B2: 3.49159  Sterimol/B3: 3.66158
  Sterimol/B4: 10.8707  Sterimol/L: 18.2745 
 
 Surface and Volume Properties
  Accessible surface: 661.787  Positive charged surface: 518.146  Negative charged surface: 143.641  Volume: 326.25
  Hydrophobic surface: 490.073  Hydrophilic surface: 171.714
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.