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NCID-ZINC06041637

 MMsINC code: MMs02519818
Type: Neutral
Formula: C19H22FNO3S
SMILES:   S(=O)(=O)(N(C1CCCCC1O)c1ccccc1F)c1ccc(cc1)C
InChI:   InChI=1/C19H22FNO3S/c1-14-10-12-15(13-11-14)25(23,24)21(17-7-3-2-6-16(17)20)18-8-4-5-9-19(18)22/h2-3,6-7,10-13,18-19,22H,4-5,8-9H2,1H3/t18-,19+/m1/s1

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Potential Energy
Epot(MMFF94)=85.1777 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.453 g/mol  logS: -4.64458  SlogP: 3.63292  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.199083  Sterimol/B1: 3.17262  Sterimol/B2: 4.11645  Sterimol/B3: 5.52308
  Sterimol/B4: 6.99837  Sterimol/L: 14.1549 
 
 Surface and Volume Properties
  Accessible surface: 562.851  Positive charged surface: 336.133  Negative charged surface: 226.718  Volume: 332.625
  Hydrophobic surface: 492.133  Hydrophilic surface: 70.718
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.