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CHEMDIV-ZINC02952421

 MMsINC code: MMs00897436
Type: Neutral
Formula: C20H20FN3O3
SMILES:   Fc1cc(NC(=O)CCCCN2C(=O)c3c(NC2=O)cccc3)ccc1C
InChI:   InChI=1/C20H20FN3O3/c1-13-9-10-14(12-16(13)21)22-18(25)8-4-5-11-24-19(26)15-6-2-3-7-17(15)23-20(24)27/h2-3,6-7,9-10,12H,4-5,8,11H2,1H3,(H,22,25)(H,23,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.1161 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.396 g/mol  logS: -4.56925  SlogP: 3.93082  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0301476  Sterimol/B1: 3.23303  Sterimol/B2: 3.55437  Sterimol/B3: 3.66412
  Sterimol/B4: 4.55812  Sterimol/L: 21.7654 
 
 Surface and Volume Properties
  Accessible surface: 644.991  Positive charged surface: 391.373  Negative charged surface: 253.619  Volume: 341.75
  Hydrophobic surface: 510.098  Hydrophilic surface: 134.893
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.