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ACROSORGANICS-ZINC01655964

 MMsINC code: MMs00010311
Type: Ionized
Formula: C14H14O4P-
SMILES:   P(OCc1ccccc1)(OCc1ccccc1)(=O)[O-]
InChI:   InChI=1/C14H15O4P/c15-19(16,17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,15,16)/p-1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=5.99139 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.236 g/mol  logS: -3.12808  SlogP: 2.351  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0522518  Sterimol/B1: 2.71882  Sterimol/B2: 2.81792  Sterimol/B3: 4.51656
  Sterimol/B4: 6.40379  Sterimol/L: 15.8937 
 
 Surface and Volume Properties
  Accessible surface: 526.395  Positive charged surface: 268.507  Negative charged surface: 257.888  Volume: 253.875
  Hydrophobic surface: 437.592  Hydrophilic surface: 88.803
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs00010310
ACROSORGANICS-ZINC01655964