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IBS-ZINC02421417

 MMsINC code: MMs01858593
Type: Neutral
Formula: C14H20NO3P
SMILES:   P(O)(=O)(CN1CCOCC1)C1Cc2c(C1)cccc2
InChI:   InChI=1/C14H20NO3P/c16-19(17,11-15-5-7-18-8-6-15)14-9-12-3-1-2-4-13(12)10-14/h1-4,14H,5-11H2,(H,16,17)

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Potential Energy
Epot(MMFF94)=81.2909 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.292 g/mol  logS: -0.91975  SlogP: 0.64364  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0723596  Sterimol/B1: 3.46788  Sterimol/B2: 3.6998  Sterimol/B3: 4.11951
  Sterimol/B4: 4.14076  Sterimol/L: 16.0776 
 
 Surface and Volume Properties
  Accessible surface: 512.358  Positive charged surface: 367.805  Negative charged surface: 144.554  Volume: 269.375
  Hydrophobic surface: 438.875  Hydrophilic surface: 73.483
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs01858594
IBS-ZINC02421417