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PUBCHEM-ZINC05936667

 MMsINC code: MMs03453043
Type: Neutral
Formula: C22H25FN4O3
SMILES:   Fc1ccccc1N(C(=O)CCC(=O)Nc1ncccc1)CC(=O)NC1CCCC1
InChI:   InChI=1/C22H25FN4O3/c23-17-9-3-4-10-18(17)27(15-21(29)25-16-7-1-2-8-16)22(30)13-12-20(28)26-19-11-5-6-14-24-19/h3-6,9-11,14,16H,1-2,7-8,12-13,15H2,(H,25,29)(H,24,26,28)

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Potential Energy
Epot(MMFF94)=96.8019 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.465 g/mol  logS: -3.71784  SlogP: 3.0314  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0600446  Sterimol/B1: 2.67821  Sterimol/B2: 3.08266  Sterimol/B3: 4.75528
  Sterimol/B4: 8.96009  Sterimol/L: 20.5876 
 
 Surface and Volume Properties
  Accessible surface: 717.673  Positive charged surface: 490.361  Negative charged surface: 227.312  Volume: 389.5
  Hydrophobic surface: 598.533  Hydrophilic surface: 119.14
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: no related molecules available.