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CHEMDIV-ZINC04881355

 MMsINC code: MMs00960361
Type: Neutral
Formula: C24H21FN4O2
SMILES:   Fc1ccc(cc1)Cn1nc(C)c(NC(=O)c2noc-3c2CCc2c-3cccc2)c1C
InChI:   InChI=1/C24H21FN4O2/c1-14-21(15(2)29(27-14)13-16-7-10-18(25)11-8-16)26-24(30)22-20-12-9-17-5-3-4-6-19(17)23(20)31-28-22/h3-8,10-11H,9,12-13H2,1-2H3,(H,26,30)

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Potential Energy
Epot(MMFF94)=123.393 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.456 g/mol  logS: -6.10138  SlogP: 4.95958  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0349326  Sterimol/B1: 2.12371  Sterimol/B2: 2.60497  Sterimol/B3: 4.84426
  Sterimol/B4: 7.06698  Sterimol/L: 21.1076 
 
 Surface and Volume Properties
  Accessible surface: 693.76  Positive charged surface: 405.625  Negative charged surface: 288.135  Volume: 386.375
  Hydrophobic surface: 606.87  Hydrophilic surface: 86.89
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 0
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Ions/Tautomers related molecules: no related molecules available.