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AURORAFEINCHEMIE-ZINC05348495

 MMsINC code: MMs00474579
Type: Neutral
Formula: C24H24FN3O3
SMILES:   Fc1cc2c(NC(=O)C23NC(C2C3C(=O)N(CCCC)C2=O)Cc2ccccc2)cc1
InChI:   InChI=1/C24H24FN3O3/c1-2-3-11-28-21(29)19-18(12-14-7-5-4-6-8-14)27-24(20(19)22(28)30)16-13-15(25)9-10-17(16)26-23(24)31/h4-10,13,18-20,27H,2-3,11-12H2,1H3,(H,26,31)/t18-,19-,20+,24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=104.595 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 421.472 g/mol  logS: -4.90939  SlogP: 2.90037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116129  Sterimol/B1: 2.27415  Sterimol/B2: 2.69548  Sterimol/B3: 5.05016
  Sterimol/B4: 10.5443  Sterimol/L: 15.2989 
 
 Surface and Volume Properties
  Accessible surface: 639.603  Positive charged surface: 382.276  Negative charged surface: 257.327  Volume: 387.125
  Hydrophobic surface: 492.613  Hydrophilic surface: 146.99
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.