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PUBCHEM-ZINC05513600

 MMsINC code: MMs03293404
Type: Neutral
Formula: C10H19N3O4
SMILES:   OC(=O)CNC(=O)CCCN(N=O)CCCC
InChI:   InChI=1/C10H19N3O4/c1-2-3-6-13(12-17)7-4-5-9(14)11-8-10(15)16/h2-8H2,1H3,(H,11,14)(H,15,16)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.0713 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.279 g/mol  logS: -1.08713  SlogP: 0.7509  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0450616  Sterimol/B1: 2.19241  Sterimol/B2: 2.74132  Sterimol/B3: 3.54662
  Sterimol/B4: 6.56671  Sterimol/L: 17.7421 
 
 Surface and Volume Properties
  Accessible surface: 515.489  Positive charged surface: 342.894  Negative charged surface: 172.595  Volume: 237.625
  Hydrophobic surface: 331.366  Hydrophilic surface: 184.123
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03293405
PUBCHEM-ZINC05513600