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NCID-ZINC01642296

 MMsINC code: MMs02284173
Type: Neutral
Formula: C16H15O2P
SMILES:   P1(OC(C=C1C)c1ccccc1)(=O)c1ccccc1
InChI:   InChI=1/C16H15O2P/c1-13-12-16(14-8-4-2-5-9-14)18-19(13,17)15-10-6-3-7-11-15/h2-12,16H,1H3/t16-,19+/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.4511 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.268 g/mol  logS: -3.67615  SlogP: 3.2906  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0895317  Sterimol/B1: 2.21268  Sterimol/B2: 2.26781  Sterimol/B3: 5.40023
  Sterimol/B4: 7.45204  Sterimol/L: 14.5717 
 
 Surface and Volume Properties
  Accessible surface: 496.296  Positive charged surface: 255.327  Negative charged surface: 240.969  Volume: 263
  Hydrophobic surface: 438.64  Hydrophilic surface: 57.656
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.