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PUBCHEM-ZINC02544317

 MMsINC code: MMs02898229
Type: Neutral
Formula: C24H18FN3O2
SMILES:   Fc1ccc(cc1)C(=O)NCC(=O)N\N=C\c1c2c(cc3c1cccc3)cccc2
InChI:   InChI=1/C24H18FN3O2/c25-19-11-9-16(10-12-19)24(30)26-15-23(29)28-27-14-22-20-7-3-1-5-17(20)13-18-6-2-4-8-21(18)22/h1-14H,15H2,(H,26,30)(H,28,29)/b27-14+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=146.203 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 399.425 g/mol  logS: -7.76146  SlogP: 4.0122  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00166002  Sterimol/B1: 2.37421  Sterimol/B2: 2.41873  Sterimol/B3: 2.55958
  Sterimol/B4: 9.27031  Sterimol/L: 20.7424 
 
 Surface and Volume Properties
  Accessible surface: 679.371  Positive charged surface: 346.157  Negative charged surface: 311.071  Volume: 372.25
  Hydrophobic surface: 560.507  Hydrophilic surface: 118.864
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1
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Ions/Tautomers related molecules: no related molecules available.