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NCID-ZINC01603154

 MMsINC code: MMs02255897
Type: Neutral
Formula: C15H15O4P
SMILES:   P(Oc1ccccc1C=O)(OCC)(=O)c1ccccc1
InChI:   InChI=1/C15H15O4P/c1-2-18-20(17,14-9-4-3-5-10-14)19-15-11-7-6-8-13(15)12-16/h3-12H,2H2,1H3/t20-/m1/s1

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Potential Energy
Epot(MMFF94)=65.1352 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.255 g/mol  logS: -3.47064  SlogP: 2.3628  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0845619  Sterimol/B1: 2.09209  Sterimol/B2: 3.04291  Sterimol/B3: 3.62175
  Sterimol/B4: 9.28866  Sterimol/L: 14.5137 
 
 Surface and Volume Properties
  Accessible surface: 505.264  Positive charged surface: 278.546  Negative charged surface: 226.718  Volume: 267.625
  Hydrophobic surface: 399.902  Hydrophilic surface: 105.362
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.