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AURORAFEINCHEMIE-ZINC02391198

 MMsINC code: MMs00452855
Type: Neutral
Formula: C6H11N2O3P
SMILES:   P(OC)(OC)(=O)Cn1ccnc1
InChI:   InChI=1/C6H11N2O3P/c1-10-12(9,11-2)6-8-4-3-7-5-8/h3-5H,6H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.3181 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.139 g/mol  logS: 0.39055  SlogP: 0.5227  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129236  Sterimol/B1: 2.48804  Sterimol/B2: 3.13596  Sterimol/B3: 3.56921
  Sterimol/B4: 5.53014  Sterimol/L: 11.4926 
 
 Surface and Volume Properties
  Accessible surface: 375.935  Positive charged surface: 307.475  Negative charged surface: 68.46  Volume: 168.75
  Hydrophobic surface: 305.765  Hydrophilic surface: 70.17
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: no related molecules available.