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CHEMSTAR-ZINC03099514

 MMsINC code: MMs01083228
Type: Neutral
Formula: C15H23O2P
SMILES:   P(C(C)(C)C)(C(C)(C)C)c1cc(ccc1)C(O)=O
InChI:   InChI=1/C15H23O2P/c1-14(2,3)18(15(4,5)6)12-9-7-8-11(10-12)13(16)17/h7-10H,1-6H3,(H,16,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=255.163 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.321 g/mol  logS: -3.00826  SlogP: 4.089  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.130985  Sterimol/B1: 2.48482  Sterimol/B2: 2.56933  Sterimol/B3: 4.65616
  Sterimol/B4: 7.09456  Sterimol/L: 13.124 
 
 Surface and Volume Properties
  Accessible surface: 466.497  Positive charged surface: 277.627  Negative charged surface: 188.871  Volume: 269
  Hydrophobic surface: 274.216  Hydrophilic surface: 192.281
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs01083229
CHEMSTAR-ZINC03099514