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IBS-ZINC05026075

 MMsINC code: MMs01914198
Type: Neutral
Formula: C24H22N4O
SMILES:   O=C(N(C)C)c1ccc(cc1)-c1nnc(Nc2cc(ccc2)C)c2c1cccc2
InChI:   InChI=1/C24H22N4O/c1-16-7-6-8-19(15-16)25-23-21-10-5-4-9-20(21)22(26-27-23)17-11-13-18(14-12-17)24(29)28(2)3/h4-15H,1-3H3,(H,25,27)

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Potential Energy
Epot(MMFF94)=164.151 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.467 g/mol  logS: -6.83826  SlogP: 5.05062  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0265813  Sterimol/B1: 2.16781  Sterimol/B2: 2.31797  Sterimol/B3: 4.34922
  Sterimol/B4: 10.0414  Sterimol/L: 19.3651 
 
 Surface and Volume Properties
  Accessible surface: 671.658  Positive charged surface: 406.61  Negative charged surface: 250.83  Volume: 378.125
  Hydrophobic surface: 593.043  Hydrophilic surface: 78.615
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.