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ENAMINE-ZINC03311556

 MMsINC code: MMs01364218
Type: Neutral
Formula: C18H18Cl2N2O4S
SMILES:   Clc1ccc(cc1)CNC(=O)C1N(S(=O)(=O)c2ccc(Cl)cc2)CC(O)C1
InChI:   InChI=1/C18H18Cl2N2O4S/c19-13-3-1-12(2-4-13)10-21-18(24)17-9-15(23)11-22(17)27(25,26)16-7-5-14(20)6-8-16/h1-8,15,17,23H,9-11H2,(H,21,24)/t15-,17+/m1/s1

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Potential Energy
Epot(MMFF94)=62.5836 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 429.324 g/mol  logS: -4.85556  SlogP: 2.7001  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0752626  Sterimol/B1: 3.56845  Sterimol/B2: 4.40405  Sterimol/B3: 5.62897
  Sterimol/B4: 6.53959  Sterimol/L: 17.8754 
 
 Surface and Volume Properties
  Accessible surface: 655.071  Positive charged surface: 305.465  Negative charged surface: 349.606  Volume: 358.625
  Hydrophobic surface: 524.85  Hydrophilic surface: 130.221
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.