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CHEMBLOCK-ZINC01429184

 MMsINC code: MMs00522775
Type: Neutral
Formula: C14H19N3O6
SMILES:   O=C1NC(=O)NC(C(O)=O)=C1CN1CCC(CC1)C(OCC)=O
InChI:   InChI=1/C14H19N3O6/c1-2-23-13(21)8-3-5-17(6-4-8)7-9-10(12(19)20)15-14(22)16-11(9)18/h8H,2-7H2,1H3,(H,19,20)(H2,15,16,18,22)

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Potential Energy
Epot(MMFF94)=6.98428 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.321 g/mol  logS: -1.65941  SlogP: -0.5604  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10061  Sterimol/B1: 3.3233  Sterimol/B2: 3.34401  Sterimol/B3: 4.30322
  Sterimol/B4: 5.8854  Sterimol/L: 15.6211 
 
 Surface and Volume Properties
  Accessible surface: 547.785  Positive charged surface: 393.995  Negative charged surface: 153.791  Volume: 282.25
  Hydrophobic surface: 268.965  Hydrophilic surface: 278.82
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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.