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ASINEX-ZINC00326131

 MMsINC code: MMs00118989
Type: Neutral
Formula: C15H18NO4P
SMILES:   P(Oc1ccccc1OC)(=O)(Nc1ccc(OC)cc1)C
InChI:   InChI=1/C15H18NO4P/c1-18-13-10-8-12(9-11-13)16-21(3,17)20-15-7-5-4-6-14(15)19-2/h4-11H,1-3H3,(H,16,17)/t21-/m0/s1

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Potential Energy
Epot(MMFF94)=83.4157 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.286 g/mol  logS: -2.68081  SlogP: 2.9474  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0951011  Sterimol/B1: 2.34953  Sterimol/B2: 4.09914  Sterimol/B3: 5.35304
  Sterimol/B4: 5.6345  Sterimol/L: 16.1864 
 
 Surface and Volume Properties
  Accessible surface: 542.574  Positive charged surface: 362.226  Negative charged surface: 180.349  Volume: 283.25
  Hydrophobic surface: 459.876  Hydrophilic surface: 82.698
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.