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CHEMBLOCK-ZINC00432254

 MMsINC code: MMs00504538
Type: Neutral
Formula: C18H11NO3
SMILES:   Oc1ccc(N2C(=O)c3c(cc4c(c3)cccc4)C2=O)cc1
InChI:   InChI=1/C18H11NO3/c20-14-7-5-13(6-8-14)19-17(21)15-9-11-3-1-2-4-12(11)10-16(15)18(19)22/h1-10,20H

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Potential Energy
Epot(MMFF94)=85.2223 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.29 g/mol  logS: -5.27452  SlogP: 3.346  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00156134  Sterimol/B1: 2.10626  Sterimol/B2: 2.32928  Sterimol/B3: 3.29625
  Sterimol/B4: 4.70205  Sterimol/L: 16.7081 
 
 Surface and Volume Properties
  Accessible surface: 499.408  Positive charged surface: 251.922  Negative charged surface: 236.415  Volume: 263.875
  Hydrophobic surface: 378.324  Hydrophilic surface: 121.084
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.