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ASINEX-ZINC04860172

 MMsINC code: MMs00387181
Type: Neutral
Formula: C23H26N4O4
SMILES:   O1c2c(OC1)cc1NC(=O)C(=Cc1c2)CN(CCN(C)C)C(=O)Nc1ccc(cc1)C
InChI:   InChI=1/C23H26N4O4/c1-15-4-6-18(7-5-15)24-23(29)27(9-8-26(2)3)13-17-10-16-11-20-21(31-14-30-20)12-19(16)25-22(17)28/h4-7,10-12H,8-9,13-14H2,1-3H3,(H,24,29)(H,25,28)

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Potential Energy
Epot(MMFF94)=86.4994 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.485 g/mol  logS: -4.28335  SlogP: 3.15492  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0865957  Sterimol/B1: 2.1836  Sterimol/B2: 3.53571  Sterimol/B3: 4.71739
  Sterimol/B4: 11.43  Sterimol/L: 19.3728 
 
 Surface and Volume Properties
  Accessible surface: 712.095  Positive charged surface: 513.279  Negative charged surface: 198.816  Volume: 402.875
  Hydrophobic surface: 579.17  Hydrophilic surface: 132.925
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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


MMs00387182
ASINEX-ZINC04860172