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ASINEX-ZINC00414570

 MMsINC code: MMs00130558
Type: Neutral
Formula: C14H11NO5
SMILES:   o1cccc1C(=O)Nc1cc2OCOc2cc1C(=O)C
InChI:   InChI=1/C14H11NO5/c1-8(16)9-5-12-13(20-7-19-12)6-10(9)15-14(17)11-3-2-4-18-11/h2-6H,7H2,1H3,(H,15,17)

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Potential Energy
Epot(MMFF94)=74.1542 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.244 g/mol  logS: -3.37381  SlogP: 2.4632  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0272225  Sterimol/B1: 2.27198  Sterimol/B2: 2.42267  Sterimol/B3: 2.97167
  Sterimol/B4: 8.00438  Sterimol/L: 14.5827 
 
 Surface and Volume Properties
  Accessible surface: 475.515  Positive charged surface: 277.34  Negative charged surface: 198.175  Volume: 238.875
  Hydrophobic surface: 345.429  Hydrophilic surface: 130.086
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.