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CHEMDIV-ZINC02715997

 MMsINC code: MMs00885532
Type: Neutral
Formula: C18H15ClFNO4S
SMILES:   Clc1cc2C3CC(Oc2cc1)(NC(=O)C3S(=O)(=O)c1ccc(F)cc1)C
InChI:   InChI=1/C18H15ClFNO4S/c1-18-9-14(13-8-10(19)2-7-15(13)25-18)16(17(22)21-18)26(23,24)12-5-3-11(20)4-6-12/h2-8,14,16H,9H2,1H3,(H,21,22)/t14-,16-,18-/m0/s1

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Potential Energy
Epot(MMFF94)=52.609 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.838 g/mol  logS: -5.36434  SlogP: 3.0337  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142993  Sterimol/B1: 1.969  Sterimol/B2: 3.3856  Sterimol/B3: 4.37546
  Sterimol/B4: 9.83977  Sterimol/L: 14.4974 
 
 Surface and Volume Properties
  Accessible surface: 555.381  Positive charged surface: 251.672  Negative charged surface: 303.709  Volume: 319.25
  Hydrophobic surface: 444.351  Hydrophilic surface: 111.03
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.