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PUBCHEM-ZINC06524778

 MMsINC code: MMs03782828
Type: Neutral
Formula: C10H15N2O6P
SMILES:   P(O)(O)(=O)COC1CCCC1N1C=CC(=O)NC1=O
InChI:   InChI=1/C10H15N2O6P/c13-9-4-5-12(10(14)11-9)7-2-1-3-8(7)18-6-19(15,16)17/h4-5,7-8H,1-3,6H2,(H,11,13,14)(H2,15,16,17)/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=1.72573 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.212 g/mol  logS: -0.23983  SlogP: -0.9454  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.166394  Sterimol/B1: 2.84335  Sterimol/B2: 2.87681  Sterimol/B3: 4.55041
  Sterimol/B4: 6.16054  Sterimol/L: 13.2417 
 
 Surface and Volume Properties
  Accessible surface: 463.276  Positive charged surface: 287.996  Negative charged surface: 175.28  Volume: 234.125
  Hydrophobic surface: 233.212  Hydrophilic surface: 230.064
 
 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.