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ASINEX-ZINC02268803

 MMsINC code: MMs00266808
Type: Neutral
Formula: C14H17N3O4
SMILES:   O=C1NCCN1C(=O)CCNC(OCc1ccccc1)=O
InChI:   InChI=1/C14H17N3O4/c18-12(17-9-8-15-13(17)19)6-7-16-14(20)21-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,19)(H,16,20)

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Potential Energy
Epot(MMFF94)=1.05682 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.307 g/mol  logS: -1.9337  SlogP: 1.1211  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0335792  Sterimol/B1: 2.73859  Sterimol/B2: 3.61709  Sterimol/B3: 3.61974
  Sterimol/B4: 5.28363  Sterimol/L: 18.6247 
 
 Surface and Volume Properties
  Accessible surface: 557.157  Positive charged surface: 383.461  Negative charged surface: 173.696  Volume: 268.625
  Hydrophobic surface: 381.86  Hydrophilic surface: 175.297
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.