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PUBCHEM-ZINC06519838

 MMsINC code: MMs03778464
Type: Neutral
Formula: C10H15N2O6P
SMILES:   P(OCC1OC(N2C=CC(=O)NC2=O)CC1)(O)(=O)C
InChI:   InChI=1/C10H15N2O6P/c1-19(15,16)17-6-7-2-3-9(18-7)12-5-4-8(13)11-10(12)14/h4-5,7,9H,2-3,6H2,1H3,(H,15,16)(H,11,13,14)/t7-,9+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-9.32454 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.212 g/mol  logS: -0.55847  SlogP: -0.6814  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105124  Sterimol/B1: 2.26182  Sterimol/B2: 2.93504  Sterimol/B3: 4.35823
  Sterimol/B4: 6.94615  Sterimol/L: 14.5848 
 
 Surface and Volume Properties
  Accessible surface: 500.923  Positive charged surface: 307.899  Negative charged surface: 193.024  Volume: 238.375
  Hydrophobic surface: 272.564  Hydrophilic surface: 228.359
 
 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.