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NCID-ZINC01610203

 MMsINC code: MMs02261074
Type: Neutral
Formula: C7H15N3O4
SMILES:   O(CCN(CCOC(=O)N)C)C(=O)N
InChI:   InChI=1/C7H15N3O4/c1-10(2-4-13-6(8)11)3-5-14-7(9)12/h2-5H2,1H3,(H2,8,11)(H2,9,12)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-6.38244 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.214 g/mol  logS: -0.19919  SlogP: -0.8912  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.179749  Sterimol/B1: 2.40027  Sterimol/B2: 2.48497  Sterimol/B3: 4.4808
  Sterimol/B4: 7.10022  Sterimol/L: 10.9843 
 
 Surface and Volume Properties
  Accessible surface: 425.452  Positive charged surface: 337.861  Negative charged surface: 87.5911  Volume: 187
  Hydrophobic surface: 187.767  Hydrophilic surface: 237.685
 
 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


MMs02261075
NCID-ZINC01610203