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ENAMINE-ZINC03276977

 MMsINC code: MMs01345748
Type: Neutral
Formula: C18H13Cl2N3O5S2
SMILES:   Clc1cc(Cl)cnc1NC(=O)COC(=O)c1ccccc1NS(=O)(=O)c1sccc1
InChI:   InChI=1/C18H13Cl2N3O5S2/c19-11-8-13(20)17(21-9-11)22-15(24)10-28-18(25)12-4-1-2-5-14(12)23-30(26,27)16-6-3-7-29-16/h1-9,23H,10H2,(H,21,22,24)

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Potential Energy
Epot(MMFF94)=96.0095 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 486.356 g/mol  logS: -5.91159  SlogP: 4.0462  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0812846  Sterimol/B1: 2.35833  Sterimol/B2: 4.6484  Sterimol/B3: 4.65293
  Sterimol/B4: 8.46022  Sterimol/L: 18.9572 
 
 Surface and Volume Properties
  Accessible surface: 694.342  Positive charged surface: 305.252  Negative charged surface: 389.091  Volume: 379.625
  Hydrophobic surface: 539.491  Hydrophilic surface: 154.851
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.