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NCID-ZINC04792504

 MMsINC code: MMs02406826
Type: Neutral
Formula: C15H32O2P+
SMILES:   [P+](CCCC)(CCCC)(CCCC)CCC(O)=O
InChI:   InChI=1/C15H31O2P/c1-4-7-11-18(12-8-5-2,13-9-6-3)14-10-15(16)17/h4-14H2,1-3H3/p+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.18303 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.393 g/mol  logS: -2.13172  SlogP: 4.879  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.148699  Sterimol/B1: 3.0085  Sterimol/B2: 4.11044  Sterimol/B3: 7.26842
  Sterimol/B4: 7.59875  Sterimol/L: 15.2224 
 
 Surface and Volume Properties
  Accessible surface: 585.761  Positive charged surface: 424.64  Negative charged surface: 161.121  Volume: 312.5
  Hydrophobic surface: 416.903  Hydrophilic surface: 168.858
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 1
  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: 0
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Ions/Tautomers related molecules


MMs02406827
NCID-ZINC04792504