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ANALYTICONDISCOVERY-ZINC04260141

 MMsINC code: MMs00034268
Type: Neutral
Formula: C19H23FN4O4
SMILES:   Fc1ccc(cc1)CC1NC(=O)C2N(CCN(C2)C(=O)N2CCOCC2)C1=O
InChI:   InChI=1/C19H23FN4O4/c20-14-3-1-13(2-4-14)11-15-18(26)24-6-5-23(12-16(24)17(25)21-15)19(27)22-7-9-28-10-8-22/h1-4,15-16H,5-12H2,(H,21,25)/t15-,16+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=202.403 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.415 g/mol  logS: -2.34501  SlogP: -0.16843  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0571158  Sterimol/B1: 3.20566  Sterimol/B2: 3.46201  Sterimol/B3: 3.75484
  Sterimol/B4: 7.05714  Sterimol/L: 17.2181 
 
 Surface and Volume Properties
  Accessible surface: 605.656  Positive charged surface: 410.407  Negative charged surface: 195.249  Volume: 342.875
  Hydrophobic surface: 470.572  Hydrophilic surface: 135.084
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.