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NCID-ZINC04771153

 MMsINC code: MMs02402421
Type: Neutral
Formula: C20H24F2N4O2
SMILES:   Fc1ccccc1NC(=O)NCCCCCCNC(=O)Nc1ccccc1F
InChI:   InChI=1/C20H24F2N4O2/c21-15-9-3-5-11-17(15)25-19(27)23-13-7-1-2-8-14-24-20(28)26-18-12-6-4-10-16(18)22/h3-6,9-12H,1-2,7-8,13-14H2,(H2,23,25,27)(H2,24,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.8541 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.434 g/mol  logS: -4.66288  SlogP: 4.4684  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00879283  Sterimol/B1: 2.09808  Sterimol/B2: 2.45399  Sterimol/B3: 3.3211
  Sterimol/B4: 5.14543  Sterimol/L: 25.883 
 
 Surface and Volume Properties
  Accessible surface: 713.685  Positive charged surface: 459.277  Negative charged surface: 254.408  Volume: 363.375
  Hydrophobic surface: 588.494  Hydrophilic surface: 125.191
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 2  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: no related molecules available.