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CHEMDIV-ZINC01251149

 MMsINC code: MMs00864862
Type: Neutral
Formula: C24H22N4O
SMILES:   O=C(N(C)C)c1ccc(cc1)-c1nnc(NCc2ccccc2)c2c1cccc2
InChI:   InChI=1/C24H22N4O/c1-28(2)24(29)19-14-12-18(13-15-19)22-20-10-6-7-11-21(20)23(27-26-22)25-16-17-8-4-3-5-9-17/h3-15H,16H2,1-2H3,(H,25,27)

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Potential Energy
Epot(MMFF94)=151.677 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.467 g/mol  logS: -6.30838  SlogP: 4.8771  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0276186  Sterimol/B1: 3.56382  Sterimol/B2: 3.61837  Sterimol/B3: 3.63935
  Sterimol/B4: 7.19222  Sterimol/L: 21.3708 
 
 Surface and Volume Properties
  Accessible surface: 676.086  Positive charged surface: 414.201  Negative charged surface: 249.583  Volume: 381.375
  Hydrophobic surface: 586.3  Hydrophilic surface: 89.786
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.