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PUBCHEM-ZINC01008866

 MMsINC code: MMs02755825
Type: Neutral
Formula: C19H18Cl2N2O2
SMILES:   Clc1ccc(Cl)cc1C1=NN(C(=O)CC)C(C1)c1ccc(OC)cc1
InChI:   InChI=1/C19H18Cl2N2O2/c1-3-19(24)23-18(12-4-7-14(25-2)8-5-12)11-17(22-23)15-10-13(20)6-9-16(15)21/h4-10,18H,3,11H2,1-2H3/t18-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.7409 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.271 g/mol  logS: -5.48981  SlogP: 5.1852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.161837  Sterimol/B1: 2.30336  Sterimol/B2: 3.56666  Sterimol/B3: 4.70733
  Sterimol/B4: 10.6021  Sterimol/L: 15.6675 
 
 Surface and Volume Properties
  Accessible surface: 605.643  Positive charged surface: 345.68  Negative charged surface: 259.963  Volume: 341.5
  Hydrophobic surface: 543.592  Hydrophilic surface: 62.051
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.