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CHEMBLOCK-ZINC04361842

 MMsINC code: MMs00549521
Type: Neutral
Formula: C14H18NO3P
SMILES:   P(O)(=O)(CN1CCCC1=O)C1Cc2c(C1)cccc2
InChI:   InChI=1/C14H18NO3P/c16-14-6-3-7-15(14)10-19(17,18)13-8-11-4-1-2-5-12(11)9-13/h1-2,4-5,13H,3,6-10H2,(H,17,18)

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Potential Energy
Epot(MMFF94)=42.414 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.276 g/mol  logS: -1.02949  SlogP: 0.93384  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0565769  Sterimol/B1: 3.04531  Sterimol/B2: 3.68262  Sterimol/B3: 3.9448
  Sterimol/B4: 4.25411  Sterimol/L: 15.7116 
 
 Surface and Volume Properties
  Accessible surface: 500.876  Positive charged surface: 324.77  Negative charged surface: 176.106  Volume: 260
  Hydrophobic surface: 413.964  Hydrophilic surface: 86.912
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs00549522
CHEMBLOCK-ZINC04361842