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MAYBRIDGE-ZINC04325253

 MMsINC code: MMs02167294
Type: Neutral
Formula: C23H26N4O2
SMILES:   O(C)c1ccc(-n2ncc(C(=O)N3CCN(CC3)Cc3ccccc3)c2C)cc1
InChI:   InChI=1/C23H26N4O2/c1-18-22(16-24-27(18)20-8-10-21(29-2)11-9-20)23(28)26-14-12-25(13-15-26)17-19-6-4-3-5-7-19/h3-11,16H,12-15,17H2,1-2H3

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Potential Energy
Epot(MMFF94)=133.388 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.487 g/mol  logS: -3.75733  SlogP: 3.41372  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0418235  Sterimol/B1: 2.76207  Sterimol/B2: 3.0418  Sterimol/B3: 4.98413
  Sterimol/B4: 8.01409  Sterimol/L: 20.1636 
 
 Surface and Volume Properties
  Accessible surface: 682.605  Positive charged surface: 467.722  Negative charged surface: 214.884  Volume: 389
  Hydrophobic surface: 620.948  Hydrophilic surface: 61.657
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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


MMs02167295
MAYBRIDGE-ZINC04325253