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ANALYTICONDISCOVERY-ZINC05414644

 MMsINC code: MMs00036989
Type: Neutral
Formula: C24H24F2N4O4
SMILES:   Fc1cc(ccc1)C(=O)N1CCN(CC1C(=O)NC1CCCNC1=O)C(=O)c1cc(F)ccc1
InChI:   InChI=1/C24H24F2N4O4/c25-17-6-1-4-15(12-17)23(33)29-10-11-30(24(34)16-5-2-7-18(26)13-16)20(14-29)22(32)28-19-8-3-9-27-21(19)31/h1-2,4-7,12-13,19-20H,3,8-11,14H2,(H,27,31)(H,28,32)/t19-,20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=198.841 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 470.476 g/mol  logS: -4.89582  SlogP: 1.3264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0995337  Sterimol/B1: 2.42848  Sterimol/B2: 3.13556  Sterimol/B3: 4.73653
  Sterimol/B4: 10.9636  Sterimol/L: 15.7414 
 
 Surface and Volume Properties
  Accessible surface: 710.76  Positive charged surface: 438.733  Negative charged surface: 272.028  Volume: 411
  Hydrophobic surface: 579.393  Hydrophilic surface: 131.367
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.