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NCID-ZINC01873004

 MMsINC code: MMs02376927
Type: Neutral
Formula: C10H13N3O4
SMILES:   O=C1NC(=O)NC(C(O)=O)=C1N1CCCCC1
InChI:   InChI=1/C10H13N3O4/c14-8-7(13-4-2-1-3-5-13)6(9(15)16)11-10(17)12-8/h1-5H2,(H,15,16)(H2,11,12,14,17)

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Potential Energy
Epot(MMFF94)=27.212 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.231 g/mol  logS: -1.42528  SlogP: -0.3921  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.169748  Sterimol/B1: 3.62014  Sterimol/B2: 3.62657  Sterimol/B3: 4.43419
  Sterimol/B4: 5.1013  Sterimol/L: 12.0445 
 
 Surface and Volume Properties
  Accessible surface: 407.29  Positive charged surface: 290.409  Negative charged surface: 116.881  Volume: 204.625
  Hydrophobic surface: 184.331  Hydrophilic surface: 222.959
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs02376928
NCID-ZINC01873004