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ASINEX-ZINC01347497

 MMsINC code: MMs00242223
Type: Neutral
Formula: C26H28N6O
SMILES:   O(C)c1ccc(cc1)C(N1CCN(CC1)c1ccccc1)c1nnnn1Cc1ccccc1
InChI:   InChI=1/C26H28N6O/c1-33-24-14-12-22(13-15-24)25(26-27-28-29-32(26)20-21-8-4-2-5-9-21)31-18-16-30(17-19-31)23-10-6-3-7-11-23/h2-15,25H,16-20H2,1H3/t25-/m1/s1

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Potential Energy
Epot(MMFF94)=188.485 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 440.551 g/mol  logS: -4.38951  SlogP: 4.0035  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11046  Sterimol/B1: 2.21879  Sterimol/B2: 3.80266  Sterimol/B3: 5.01416
  Sterimol/B4: 13.6008  Sterimol/L: 16.2149 
 
 Surface and Volume Properties
  Accessible surface: 712.877  Positive charged surface: 435.899  Negative charged surface: 244.098  Volume: 433.875
  Hydrophobic surface: 649.805  Hydrophilic surface: 63.072
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00242224
ASINEX-ZINC01347497