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PUBCHEM-ZINC03117261

 MMsINC code: MMs02995990
Type: Neutral
Formula: C24H24N6O3
SMILES:   O(C)c1ccccc1Nc1nc(nc(n1)Nc1ccccc1OC)Nc1ccccc1OC
InChI:   InChI=1/C24H24N6O3/c1-31-19-13-7-4-10-16(19)25-22-28-23(26-17-11-5-8-14-20(17)32-2)30-24(29-22)27-18-12-6-9-15-21(18)33-3/h4-15H,1-3H3,(H3,25,26,27,28,29,30)

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Potential Energy
Epot(MMFF94)=99.9744 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 444.495 g/mol  logS: -7.26752  SlogP: 5.1282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0547213  Sterimol/B1: 3.08896  Sterimol/B2: 4.156  Sterimol/B3: 5.48697
  Sterimol/B4: 9.98548  Sterimol/L: 16.8461 
 
 Surface and Volume Properties
  Accessible surface: 757.231  Positive charged surface: 549.658  Negative charged surface: 207.573  Volume: 418.5
  Hydrophobic surface: 659.407  Hydrophilic surface: 97.824
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  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: 0
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Ions/Tautomers related molecules: no related molecules available.