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ASINEX-ZINC00900573

 MMsINC code: MMs00212476
Type: Neutral
Formula: C24H24F2N4O
SMILES:   FC(F)C1n2ncc(c2NC(C1)c1ccc(cc1)C)C(=O)Nc1cc2CCCc2cc1
InChI:   InChI=1/C24H24F2N4O/c1-14-5-7-16(8-6-14)20-12-21(22(25)26)30-23(29-20)19(13-27-30)24(31)28-18-10-9-15-3-2-4-17(15)11-18/h5-11,13,20-22,29H,2-4,12H2,1H3,(H,28,31)/t20-,21+/m0/s1

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Potential Energy
Epot(MMFF94)=136.749 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.479 g/mol  logS: -6.2742  SlogP: 5.90646  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.049466  Sterimol/B1: 2.08684  Sterimol/B2: 3.04857  Sterimol/B3: 4.35772
  Sterimol/B4: 11.4996  Sterimol/L: 17.149 
 
 Surface and Volume Properties
  Accessible surface: 697.348  Positive charged surface: 437.553  Negative charged surface: 259.795  Volume: 394.875
  Hydrophobic surface: 577.932  Hydrophilic surface: 119.416
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.