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ANALYTICONDISCOVERY-ZINC04270740

 MMsINC code: MMs00035098
Type: Neutral
Formula: C11H19N3O4
SMILES:   O1CCN(CC1)C(=O)N1CC(NCC1)C(OC)=O
InChI:   InChI=1/C11H19N3O4/c1-17-10(15)9-8-14(3-2-12-9)11(16)13-4-6-18-7-5-13/h9,12H,2-8H2,1H3/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=117.893 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.29 g/mol  logS: -0.00778  SlogP: -1.1146  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0737898  Sterimol/B1: 2.44952  Sterimol/B2: 3.23188  Sterimol/B3: 3.70224
  Sterimol/B4: 6.11566  Sterimol/L: 14.5814 
 
 Surface and Volume Properties
  Accessible surface: 475.19  Positive charged surface: 402.184  Negative charged surface: 73.0064  Volume: 237.25
  Hydrophobic surface: 369.748  Hydrophilic surface: 105.442
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.