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CHEMDIV-ZINC06870820

 MMsINC code: MMs01049903
Type: Neutral
Formula: C19H18FN3O4
SMILES:   Fc1cc(ccc1)C(=O)NC=1NC(=O)CC(N=1)c1cc(OC)ccc1OC
InChI:   InChI=1/C19H18FN3O4/c1-26-13-6-7-16(27-2)14(9-13)15-10-17(24)22-19(21-15)23-18(25)11-4-3-5-12(20)8-11/h3-9,15H,10H2,1-2H3,(H2,21,22,23,24,25)/t15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.0141 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.368 g/mol  logS: -4.43602  SlogP: 2.2854  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0547996  Sterimol/B1: 2.34696  Sterimol/B2: 2.41462  Sterimol/B3: 4.73528
  Sterimol/B4: 10.565  Sterimol/L: 16.6158 
 
 Surface and Volume Properties
  Accessible surface: 615.355  Positive charged surface: 403.716  Negative charged surface: 211.639  Volume: 330.25
  Hydrophobic surface: 482.743  Hydrophilic surface: 132.612
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.