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CHEMDIV-ZINC04151066

MMsINC code: MMs00929797

Type: Neutral
Formula: C24H22N4O
SMILES:   Oc1ccccc1-c1nc(nn1-c1ccccc1)\C=C\c1ccc(N(C)C)cc1
InChI:   InChI=1/C24H22N4O/c1-27(2)19-15-12-18(13-16-19)14-17-23-25-24(21-10-6-7-11-22(21)29)28(26-23)20-8-4-3-5-9-20/h3-17,29H,1-2H3/b17-14+

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Potential Energy
Epot(MMFF94)=139.255 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.467 g/mol  logS: -6.03147  SlogP: 4.8763  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0216818  Sterimol/B1: 3.35831  Sterimol/B2: 3.52804  Sterimol/B3: 5.16152
  Sterimol/B4: 6.67306  Sterimol/L: 19.3764 
 
 Surface and Volume Properties
  Accessible surface: 689.147  Positive charged surface: 433.788  Negative charged surface: 255.359  Volume: 386.5
  Hydrophobic surface: 620.315  Hydrophilic surface: 68.832
 
 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.