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CHEMDIV-ZINC06872711

 MMsINC code: MMs01050176
Type: Neutral
Formula: C20H22FN5O4
SMILES:   Fc1ccc(cc1)-c1noc(c1)C(=O)Nc1c(n(nc1C)CC(=O)NCCOC)C
InChI:   InChI=1/C20H22FN5O4/c1-12-19(13(2)26(24-12)11-18(27)22-8-9-29-3)23-20(28)17-10-16(25-30-17)14-4-6-15(21)7-5-14/h4-7,10H,8-9,11H2,1-3H3,(H,22,27)(H,23,28)

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Potential Energy
Epot(MMFF94)=94.7858 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 415.425 g/mol  logS: -4.11634  SlogP: 2.57534  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0231928  Sterimol/B1: 2.23031  Sterimol/B2: 2.53932  Sterimol/B3: 3.78313
  Sterimol/B4: 7.67439  Sterimol/L: 24.1573 
 
 Surface and Volume Properties
  Accessible surface: 727.89  Positive charged surface: 468.546  Negative charged surface: 259.344  Volume: 377.875
  Hydrophobic surface: 594.755  Hydrophilic surface: 133.135
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.