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ENAMINE-ZINC03319102

 MMsINC code: MMs01369037
Type: Ionized
Formula: C15H12ClN2O6S-
SMILES:   Clc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(Cc1ccccc1)C(=O)[O-]
InChI:   InChI=1/C15H13ClN2O6S/c16-12-9-11(18(21)22)6-7-14(12)25(23,24)17-13(15(19)20)8-10-4-2-1-3-5-10/h1-7,9,13,17H,8H2,(H,19,20)/p-1/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=49.9382 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.788 g/mol  logS: -4.83304  SlogP: 0.88767  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12504  Sterimol/B1: 2.80502  Sterimol/B2: 3.78147  Sterimol/B3: 5.26547
  Sterimol/B4: 5.44865  Sterimol/L: 16.0295 
 
 Surface and Volume Properties
  Accessible surface: 548.535  Positive charged surface: 202.024  Negative charged surface: 346.511  Volume: 307.5
  Hydrophobic surface: 348.349  Hydrophilic surface: 200.186
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs01369036
ENAMINE-ZINC03319102