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CHEMBRIDGE-ZINC02698172

 MMsINC code: MMs00713492
Type: Neutral
Formula: C22H16N2O4
SMILES:   O=C1N(N2C(=O)CCC2=O)C(=O)C2C1C1c3c(C2c2c1cccc2)cccc3
InChI:   InChI=1/C22H16N2O4/c25-15-9-10-16(26)23(15)24-21(27)19-17-11-5-1-2-6-12(11)18(20(19)22(24)28)14-8-4-3-7-13(14)17/h1-8,17-20H,9-10H2/t17-,18+,19-,20-/m1/s1

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Potential Energy
Epot(MMFF94)=124.714 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.38 g/mol  logS: -3.83738  SlogP: 1.9426  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151739  Sterimol/B1: 2.36512  Sterimol/B2: 3.36389  Sterimol/B3: 4.64334
  Sterimol/B4: 8.70525  Sterimol/L: 13.4565 
 
 Surface and Volume Properties
  Accessible surface: 579.447  Positive charged surface: 300.322  Negative charged surface: 279.124  Volume: 329.5
  Hydrophobic surface: 431.996  Hydrophilic surface: 147.451
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.