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PUBCHEM-ZINC06519842

 MMsINC code: MMs03778467
Type: Neutral
Formula: C10H16N3O5P
SMILES:   P(OCC1OC(N2C=CC(=NC2=O)N)CC1)(O)(=O)C
InChI:   InChI=1/C10H16N3O5P/c1-19(15,16)17-6-7-2-3-9(18-7)13-5-4-8(11)12-10(13)14/h4-5,7,9H,2-3,6H2,1H3,(H,15,16)(H2,11,12,14)/t7-,9+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.3625 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.228 g/mol  logS: -0.75923  SlogP: -0.4404  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0880698  Sterimol/B1: 2.19612  Sterimol/B2: 2.94044  Sterimol/B3: 4.27435
  Sterimol/B4: 7.26265  Sterimol/L: 15.1503 
 
 Surface and Volume Properties
  Accessible surface: 510.303  Positive charged surface: 329.567  Negative charged surface: 180.737  Volume: 243.375
  Hydrophobic surface: 268.348  Hydrophilic surface: 241.955
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.