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ACROSORGANICS-ZINC01674853

 MMsINC code: MMs00010613
Type: Neutral
Formula: C12H27OP
SMILES:   P(=O)(CCCC)(CCCC)CCCC
InChI:   InChI=1/C12H27OP/c1-4-7-10-14(13,11-8-5-2)12-9-6-3/h4-12H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.56627 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.321 g/mol  logS: -2.23486  SlogP: 3.6796  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.094091  Sterimol/B1: 2.24611  Sterimol/B2: 2.4947  Sterimol/B3: 3.94237
  Sterimol/B4: 7.93749  Sterimol/L: 15.2149 
 
 Surface and Volume Properties
  Accessible surface: 511.44  Positive charged surface: 382.194  Negative charged surface: 129.245  Volume: 255
  Hydrophobic surface: 417.365  Hydrophilic surface: 94.075
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.