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PUBCHEM-ZINC04211855

 MMsINC code: MMs03101397
Type: Neutral
Formula: C30H26FN3O2
SMILES:   Fc1ccccc1C(=O)N(CC(=O)N1c2c(-n3c(ccc3)C1c1cc(ccc1)C)cccc2)C1
CC1
InChI:   InChI=1/C30H26FN3O2/c1-20-8-6-9-21(18-20)29-27-14-7-17-32(27)25-12-4-5-13-26(25)34(29)28(35)19-33(22-15-16-22)30(36)23-10-2-3-11-24(23)31/h2-14,17-18,22,29H,15-16,19H2,1H3/t29-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=206.726 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 479.555 g/mol  logS: -6.84105  SlogP: 5.76112  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.500881  Sterimol/B1: 2.25554  Sterimol/B2: 2.50301  Sterimol/B3: 9.33077
  Sterimol/B4: 9.43449  Sterimol/L: 13.2083 
 
 Surface and Volume Properties
  Accessible surface: 731.602  Positive charged surface: 401.286  Negative charged surface: 330.315  Volume: 460.375
  Hydrophobic surface: 647.802  Hydrophilic surface: 83.8
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.