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SIAL-ZINC04800765

 MMsINC code: MMs03925952
Type: Neutral
Formula: C18H19O4P
SMILES:   P(OC=1CCCCC=1)(Oc1ccccc1)(Oc1ccccc1)=O
InChI:   InChI=1/C18H19O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-2,4-7,10-14H,3,8-9,15H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.2473 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.32 g/mol  logS: -4.34936  SlogP: 4.6568  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151044  Sterimol/B1: 2.47492  Sterimol/B2: 3.14602  Sterimol/B3: 4.15779
  Sterimol/B4: 10.5969  Sterimol/L: 12.666 
 
 Surface and Volume Properties
  Accessible surface: 568.464  Positive charged surface: 349.29  Negative charged surface: 219.174  Volume: 310
  Hydrophobic surface: 534.437  Hydrophilic surface: 34.027
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.