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ASINEX-ZINC04748571

 MMsINC code: MMs00369221
Type: Neutral
Formula: C15H23O3P
SMILES:   P(=O)(C(C)(C)C)(C(C)(C)C)c1cc(ccc1)C(O)=O
InChI:   InChI=1/C15H23O3P/c1-14(2,3)19(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)=83.6945 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.32 g/mol  logS: -2.85878  SlogP: 2.9  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.255711  Sterimol/B1: 2.38083  Sterimol/B2: 3.74818  Sterimol/B3: 4.8274
  Sterimol/B4: 7.80237  Sterimol/L: 12.9215 
 
 Surface and Volume Properties
  Accessible surface: 480.369  Positive charged surface: 289.433  Negative charged surface: 190.936  Volume: 283
  Hydrophobic surface: 279.946  Hydrophilic surface: 200.423
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs00369222
ASINEX-ZINC04748571