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IBS-ZINC02421417

 MMsINC code: MMs01858594
Type: Ionized
Formula: C14H19NO3P-
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)/p-1

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Potential Energy
Epot(MMFF94)=74.0896 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.284 g/mol  logS: -0.99127  SlogP: 0.01164  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0583599  Sterimol/B1: 3.13901  Sterimol/B2: 3.50983  Sterimol/B3: 3.90856
  Sterimol/B4: 4.09698  Sterimol/L: 15.7938 
 
 Surface and Volume Properties
  Accessible surface: 497.579  Positive charged surface: 344.933  Negative charged surface: 152.647  Volume: 262.25
  Hydrophobic surface: 428.142  Hydrophilic surface: 69.437
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs01858593
IBS-ZINC02421417