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IBS-ZINC00978528

 MMsINC code: MMs01759591
Type: Neutral
Formula: C23H18N4O3
SMILES:   o1cccc1C1=Nc2c(cccc2)C(=O)N1C=1C(=O)N(N(C)C=1C)c1ccccc1
InChI:   InChI=1/C23H18N4O3/c1-15-20(23(29)27(25(15)2)16-9-4-3-5-10-16)26-21(19-13-8-14-30-19)24-18-12-7-6-11-17(18)22(26)28/h3-14H,1-2H3

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Potential Energy
Epot(MMFF94)=144.389 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.422 g/mol  logS: -6.06136  SlogP: 3.9388  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.162389  Sterimol/B1: 2.13046  Sterimol/B2: 3.65226  Sterimol/B3: 7.51003
  Sterimol/B4: 7.74511  Sterimol/L: 17.3305 
 
 Surface and Volume Properties
  Accessible surface: 631.647  Positive charged surface: 351.139  Negative charged surface: 280.508  Volume: 373.5
  Hydrophobic surface: 571.149  Hydrophilic surface: 60.498
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.