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ANALYTICONDISCOVERY-ZINC05434132

 MMsINC code: MMs00038027
Type: Neutral
Formula: C19H23FN4O4
SMILES:   Fc1cc(ccc1)C(=O)N1CC(N(CC1)C(=O)C)C(=O)NC1CCCNC1=O
InChI:   InChI=1/C19H23FN4O4/c1-12(25)24-9-8-23(19(28)13-4-2-5-14(20)10-13)11-16(24)18(27)22-15-6-3-7-21-17(15)26/h2,4-5,10,15-16H,3,6-9,11H2,1H3,(H,21,26)(H,22,27)/t15-,16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=132.815 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.415 g/mol  logS: -2.8403  SlogP: -0.1066  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0953397  Sterimol/B1: 1.97105  Sterimol/B2: 3.55256  Sterimol/B3: 3.82546
  Sterimol/B4: 11.5239  Sterimol/L: 14.5841 
 
 Surface and Volume Properties
  Accessible surface: 626.154  Positive charged surface: 419.085  Negative charged surface: 207.069  Volume: 349.625
  Hydrophobic surface: 486.366  Hydrophilic surface: 139.788
 
 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.