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NANOSIN-ZINC04738250

 MMsINC code: MMs02210513
Type: Neutral
Formula: C19H20Cl2N2O2
SMILES:   Clc1cc(Cl)ccc1OCCCC(=O)N\N=C(\Cc1ccccc1)/C
InChI:   InChI=1/C19H20Cl2N2O2/c1-14(12-15-6-3-2-4-7-15)22-23-19(24)8-5-11-25-18-10-9-16(20)13-17(18)21/h2-4,6-7,9-10,13H,5,8,11-12H2,1H3,(H,23,24)/b22-14-

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Potential Energy
Epot(MMFF94)=97.6936 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.287 g/mol  logS: -5.53487  SlogP: 4.88717  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0334922  Sterimol/B1: 2.32006  Sterimol/B2: 3.59598  Sterimol/B3: 3.79171
  Sterimol/B4: 7.91846  Sterimol/L: 19.7712 
 
 Surface and Volume Properties
  Accessible surface: 664.529  Positive charged surface: 335.515  Negative charged surface: 329.014  Volume: 351.5
  Hydrophobic surface: 606.541  Hydrophilic surface: 57.988
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.