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CHEMDIV-ZINC05036382

 MMsINC code: MMs00982154
Type: Neutral
Formula: C21H23FN2OS
SMILES:   s1c2cc(n(c2cc1)Cc1ccc(F)cc1)C(=O)NC1CCCCC1C
InChI:   InChI=1/C21H23FN2OS/c1-14-4-2-3-5-17(14)23-21(25)19-12-20-18(10-11-26-20)24(19)13-15-6-8-16(22)9-7-15/h6-12,14,17H,2-5,13H2,1H3,(H,23,25)/t14-,17+/m1/s1

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Potential Energy
Epot(MMFF94)=46.0602 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.492 g/mol  logS: -5.22618  SlogP: 5.4651  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11838  Sterimol/B1: 2.25008  Sterimol/B2: 3.76163  Sterimol/B3: 5.81952
  Sterimol/B4: 7.98016  Sterimol/L: 15.0709 
 
 Surface and Volume Properties
  Accessible surface: 613.816  Positive charged surface: 344.068  Negative charged surface: 269.748  Volume: 354.375
  Hydrophobic surface: 569.053  Hydrophilic surface: 44.763
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.