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CHEMBLOCK-ZINC04593778

 MMsINC code: MMs00560186
Type: Neutral
Formula: C11H15N3O5
SMILES:   O=C1NC(=O)NC(=C1)C(=O)NCCCCCC(O)=O
InChI:   InChI=1/C11H15N3O5/c15-8-6-7(13-11(19)14-8)10(18)12-5-3-1-2-4-9(16)17/h6H,1-5H2,(H,12,18)(H,16,17)(H2,13,14,15,19)

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Potential Energy
Epot(MMFF94)=-24.0856 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.257 g/mol  logS: -1.36749  SlogP: -0.5291  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0121525  Sterimol/B1: 2.37455  Sterimol/B2: 2.37648  Sterimol/B3: 2.93086
  Sterimol/B4: 5.70044  Sterimol/L: 18.3013 
 
 Surface and Volume Properties
  Accessible surface: 499.468  Positive charged surface: 314.134  Negative charged surface: 185.335  Volume: 234.5
  Hydrophobic surface: 207.097  Hydrophilic surface: 292.371
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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


MMs00560187
CHEMBLOCK-ZINC04593778