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PUBCHEM-ZINC06249353

 MMsINC code: MMs03638145
Type: Neutral
Formula: C18H18Cl2N2O3
SMILES:   Clc1cc(Cl)ccc1OC(C(=O)N\N=C(/C)\c1cc(OC)ccc1)C
InChI:   InChI=1/C18H18Cl2N2O3/c1-11(13-5-4-6-15(9-13)24-3)21-22-18(23)12(2)25-17-8-7-14(19)10-16(17)20/h4-10,12H,1-3H3,(H,22,23)/b21-11+/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=123.357 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.259 g/mol  logS: -5.7673  SlogP: 4.3097  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0246843  Sterimol/B1: 2.38127  Sterimol/B2: 3.53655  Sterimol/B3: 5.11878
  Sterimol/B4: 6.61356  Sterimol/L: 19.8986 
 
 Surface and Volume Properties
  Accessible surface: 650.046  Positive charged surface: 332.251  Negative charged surface: 317.795  Volume: 341.625
  Hydrophobic surface: 562.307  Hydrophilic surface: 87.739
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.