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ENAMINE-ZINC01447096

 MMsINC code: MMs01240057
Type: Neutral
Formula: C17H24ClN3O3S
SMILES:   Clc1ccc(S(=O)(=O)N2CCCC2NC(=O)NC2CCCCC2)cc1
InChI:   InChI=1/C17H24ClN3O3S/c18-13-8-10-15(11-9-13)25(23,24)21-12-4-7-16(21)20-17(22)19-14-5-2-1-3-6-14/h8-11,14,16H,1-7,12H2,(H2,19,20,22)/t16-/m0/s1

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Potential Energy
Epot(MMFF94)=-15.9055 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.916 g/mol  logS: -3.95077  SlogP: 3.0825  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0763432  Sterimol/B1: 2.9498  Sterimol/B2: 3.38998  Sterimol/B3: 5.02962
  Sterimol/B4: 7.58673  Sterimol/L: 17.3754 
 
 Surface and Volume Properties
  Accessible surface: 622.234  Positive charged surface: 389.388  Negative charged surface: 232.845  Volume: 345.625
  Hydrophobic surface: 533.172  Hydrophilic surface: 89.062
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.