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IFLAB-ZINC04263864

 MMsINC code: MMs02032051
Type: Neutral
Formula: C20H14N2O3
SMILES:   O=C1NC(=O)c2c1cc(NC(=O)Cc1c3c(ccc1)cccc3)cc2
InChI:   InChI=1/C20H14N2O3/c23-18(10-13-6-3-5-12-4-1-2-7-15(12)13)21-14-8-9-16-17(11-14)20(25)22-19(16)24/h1-9,11H,10H2,(H,21,23)(H,22,24,25)

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Potential Energy
Epot(MMFF94)=83.3049 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.343 g/mol  logS: -5.95006  SlogP: 2.90457  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0985735  Sterimol/B1: 2.45322  Sterimol/B2: 3.10364  Sterimol/B3: 4.99794
  Sterimol/B4: 6.90194  Sterimol/L: 15.6443 
 
 Surface and Volume Properties
  Accessible surface: 561.481  Positive charged surface: 306.101  Negative charged surface: 246.481  Volume: 302.375
  Hydrophobic surface: 385.973  Hydrophilic surface: 175.508
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.