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PUBCHEM-ZINC05828074

 MMsINC code: MMs03403645
Type: Neutral
Formula: C14H21O7P
SMILES:   P(OCC)(OCC)(=O)\C(=C\c1oc(cc1)CO)\C(OCC)=O
InChI:   InChI=1/C14H21O7P/c1-4-18-14(16)13(22(17,19-5-2)20-6-3)9-11-7-8-12(10-15)21-11/h7-9,15H,4-6,10H2,1-3H3/b13-9-

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Potential Energy
Epot(MMFF94)=23.3181 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.289 g/mol  logS: -3.01596  SlogP: 2.1382  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0955182  Sterimol/B1: 3.43003  Sterimol/B2: 4.24325  Sterimol/B3: 4.89557
  Sterimol/B4: 5.67272  Sterimol/L: 14.4901 
 
 Surface and Volume Properties
  Accessible surface: 544.447  Positive charged surface: 361.86  Negative charged surface: 182.587  Volume: 302.375
  Hydrophobic surface: 370.98  Hydrophilic surface: 173.467
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.