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PUBCHEM-ZINC05853237

 MMsINC code: MMs03418096
Type: Neutral
Formula: C11H13N2O7P
SMILES:   P(O)(O)(=O)COC1OC(N2C=C(C=C)C(=O)NC2=O)C=C1
InChI:   InChI=1/C11H13N2O7P/c1-2-7-5-13(11(15)12-10(7)14)8-3-4-9(20-8)19-6-21(16,17)18/h2-5,8-9H,1,6H2,(H,12,14,15)(H2,16,17,18)/t8-,9+/m1/s1

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Potential Energy
Epot(MMFF94)=-1.01855 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.206 g/mol  logS: -0.86371  SlogP: -1.0717  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.076854  Sterimol/B1: 2.55591  Sterimol/B2: 3.26411  Sterimol/B3: 3.78549
  Sterimol/B4: 8.58412  Sterimol/L: 12.5352 
 
 Surface and Volume Properties
  Accessible surface: 480.789  Positive charged surface: 248.795  Negative charged surface: 231.994  Volume: 250.125
  Hydrophobic surface: 153.28  Hydrophilic surface: 327.509
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 7  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.