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NCID-ZINC05086511

 MMsINC code: MMs02439476
Type: Neutral
Formula: C18H11NO4
SMILES:   Oc1c2c(C(=O)c3c(C2=O)c(N)ccc3)c(O)c2c1cccc2
InChI:   InChI=1/C18H11NO4/c19-11-7-3-6-10-12(11)18(23)14-13(17(10)22)15(20)8-4-1-2-5-9(8)16(14)21/h1-7,20-21H,19H2

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Potential Energy
Epot(MMFF94)=112.897 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.289 g/mol  logS: -4.75986  SlogP: 2.6086  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00723936  Sterimol/B1: 2.21419  Sterimol/B2: 2.49896  Sterimol/B3: 4.20588
  Sterimol/B4: 4.93086  Sterimol/L: 14.7231 
 
 Surface and Volume Properties
  Accessible surface: 474.901  Positive charged surface: 279.593  Negative charged surface: 185.298  Volume: 268.5
  Hydrophobic surface: 300.688  Hydrophilic surface: 174.213
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.