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ENAMINE-ZINC05429498

 MMsINC code: MMs01612150
Type: Neutral
Formula: C15H14FNO5
SMILES:   Fc1cc(ccc1OC)COc1ccc(OC)cc1[N+](=O)[O-]
InChI:   InChI=1/C15H14FNO5/c1-20-11-4-6-15(13(8-11)17(18)19)22-9-10-3-5-14(21-2)12(16)7-10/h3-8H,9H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.015 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.277 g/mol  logS: -4.38913  SlogP: 3.5965  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.052948  Sterimol/B1: 2.30591  Sterimol/B2: 3.06942  Sterimol/B3: 4.57658
  Sterimol/B4: 6.70053  Sterimol/L: 18.1549 
 
 Surface and Volume Properties
  Accessible surface: 536.143  Positive charged surface: 328.427  Negative charged surface: 207.717  Volume: 267.75
  Hydrophobic surface: 437.756  Hydrophilic surface: 98.387
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.