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MDPI-ZINC03844367

 MMsINC code: MMs02177630
Type: Neutral
Formula: C16H23N3O7
SMILES:   O=C1N(C)C(=O)N(C=C1C(CC(=O)NCC(OCC)=O)C(OCC)=O)C
InChI:   InChI=1/C16H23N3O7/c1-5-25-13(21)8-17-12(20)7-10(15(23)26-6-2)11-9-18(3)16(24)19(4)14(11)22/h9-10H,5-8H2,1-4H3,(H,17,20)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=18.3897 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.374 g/mol  logS: -1.49239  SlogP: -0.3572  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0884628  Sterimol/B1: 4.40274  Sterimol/B2: 4.40304  Sterimol/B3: 4.7335
  Sterimol/B4: 7.12554  Sterimol/L: 18.6687 
 
 Surface and Volume Properties
  Accessible surface: 665.023  Positive charged surface: 504.633  Negative charged surface: 160.39  Volume: 334.125
  Hydrophobic surface: 458.783  Hydrophilic surface: 206.24
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.