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ENAMINE-ZINC05577654

 MMsINC code: MMs01624922
Type: Neutral
Formula: C18H12O6P-
SMILES:   [P-]123(Oc4c(O1)cccc4)(Oc1c(O2)cccc1)Oc1c(O3)cccc1
InChI:   InChI=1/C18H12O6P/c1-2-8-14-13(7-1)19-25(20-14,21-15-9-3-4-10-16(15)22-25)23-17-11-5-6-12-18(17)24-25/h1-12H/q-1

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Potential Energy
Epot(MMFF94)=61.908 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.262 g/mol  logS: -5.66394  SlogP: 4.9796  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.165154  Sterimol/B1: 2.28581  Sterimol/B2: 2.92876  Sterimol/B3: 4.06475
  Sterimol/B4: 10.4833  Sterimol/L: 13.6583 
 
 Surface and Volume Properties
  Accessible surface: 568.568  Positive charged surface: 295.968  Negative charged surface: 272.6  Volume: 294.625
  Hydrophobic surface: 529.37  Hydrophilic surface: 39.198
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  Acid groups: 1  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: 0
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Ions/Tautomers related molecules: no related molecules available.