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ANALYTICONDISCOVERY-ZINC03841141

 MMsINC code: MMs00027958
Type: Neutral
Formula: C19H25FN4O3
SMILES:   Fc1ccc(cc1)CC1NC(=O)C2N(CCC(NC(=O)C(NC)C)C2)C1=O
InChI:   InChI=1/C19H25FN4O3/c1-11(21-2)17(25)22-14-7-8-24-16(10-14)18(26)23-15(19(24)27)9-12-3-5-13(20)6-4-12/h3-6,11,14-16,21H,7-10H2,1-2H3,(H,22,25)(H,23,26)/t11-,14-,15-,16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.759 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.432 g/mol  logS: -2.92198  SlogP: -0.04973  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0394312  Sterimol/B1: 2.11018  Sterimol/B2: 3.11608  Sterimol/B3: 3.87883
  Sterimol/B4: 6.66687  Sterimol/L: 20.177 
 
 Surface and Volume Properties
  Accessible surface: 633.588  Positive charged surface: 419.49  Negative charged surface: 214.098  Volume: 350.625
  Hydrophobic surface: 478.109  Hydrophilic surface: 155.479
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.