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PUBCHEM-ZINC06524796

 MMsINC code: MMs03782844
Type: Neutral
Formula: C10H15N2O6P
SMILES:   P(O)(O)(=O)CCC1OC(N2C=CC(=O)NC2=O)CC1
InChI:   InChI=1/C10H15N2O6P/c13-8-3-5-12(10(14)11-8)9-2-1-7(18-9)4-6-19(15,16)17/h3,5,7,9H,1-2,4,6H2,(H,11,13,14)(H2,15,16,17)/t7-,9+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-44.8586 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.212 g/mol  logS: -0.41506  SlogP: -0.9454  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106947  Sterimol/B1: 2.75285  Sterimol/B2: 3.18909  Sterimol/B3: 4.18734
  Sterimol/B4: 5.44452  Sterimol/L: 14.273 
 
 Surface and Volume Properties
  Accessible surface: 481.058  Positive charged surface: 290.419  Negative charged surface: 190.639  Volume: 234.375
  Hydrophobic surface: 234.607  Hydrophilic surface: 246.451
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.