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CHEMDIV-ZINC03588782

 MMsINC code: MMs00911144
Type: Neutral
Formula: C19H20Cl2N2O3
SMILES:   Clc1cc(NC(=O)N2CCCC2c2cc(OC)c(OC)cc2)ccc1Cl
InChI:   InChI=1/C19H20Cl2N2O3/c1-25-17-8-5-12(10-18(17)26-2)16-4-3-9-23(16)19(24)22-13-6-7-14(20)15(21)11-13/h5-8,10-11,16H,3-4,9H2,1-2H3,(H,22,24)/t16-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.4841 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.286 g/mol  logS: -5.21182  SlogP: 5.4751  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.199967  Sterimol/B1: 2.20863  Sterimol/B2: 2.74857  Sterimol/B3: 7.22655
  Sterimol/B4: 9.0971  Sterimol/L: 16.0862 
 
 Surface and Volume Properties
  Accessible surface: 640.723  Positive charged surface: 402.27  Negative charged surface: 238.453  Volume: 352.25
  Hydrophobic surface: 595.237  Hydrophilic surface: 45.486
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.