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PUBCHEM-ZINC00648387

 MMsINC code: MMs02720056
Type: Neutral
Formula: C19H21Cl2NO3
SMILES:   Clc1ccc(Cl)cc1OC(CC)C(=O)NC(C)c1cc(OC)ccc1
InChI:   InChI=1/C19H21Cl2NO3/c1-4-17(25-18-11-14(20)8-9-16(18)21)19(23)22-12(2)13-6-5-7-15(10-13)24-3/h5-12,17H,4H2,1-3H3,(H,22,23)/t12-,17+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.928 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.287 g/mol  logS: -5.75088  SlogP: 5.1323  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101818  Sterimol/B1: 2.34867  Sterimol/B2: 3.82769  Sterimol/B3: 6.46316
  Sterimol/B4: 6.80481  Sterimol/L: 17.7803 
 
 Surface and Volume Properties
  Accessible surface: 636.727  Positive charged surface: 337.519  Negative charged surface: 299.208  Volume: 348.875
  Hydrophobic surface: 555.692  Hydrophilic surface: 81.035
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.