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CHEMDIV-ZINC06781518

 MMsINC code: MMs01021842
Type: Neutral
Formula: C24H26F2N4O
SMILES:   Fc1ccccc1N1CCN(CC1)CCNC(=O)c1cc([nH]c1C)-c1ccc(F)cc1
InChI:   InChI=1/C24H26F2N4O/c1-17-20(16-22(28-17)18-6-8-19(25)9-7-18)24(31)27-10-11-29-12-14-30(15-13-29)23-5-3-2-4-21(23)26/h2-9,16,28H,10-15H2,1H3,(H,27,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=152.662 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.495 g/mol  logS: -5.04124  SlogP: 3.82032  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0200357  Sterimol/B1: 1.969  Sterimol/B2: 3.32391  Sterimol/B3: 3.50519
  Sterimol/B4: 9.34583  Sterimol/L: 23.192 
 
 Surface and Volume Properties
  Accessible surface: 729.906  Positive charged surface: 448.357  Negative charged surface: 281.55  Volume: 404.125
  Hydrophobic surface: 650.559  Hydrophilic surface: 79.347
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs01021843
CHEMDIV-ZINC06781518