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ASINEX-ZINC00898087

MMsINC code: MMs00211785

Type: Neutral
Formula: C19H17Cl2N3O2
SMILES:   Clc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1ccc(N(C)C)cc1
InChI:   InChI=1/C19H17Cl2N3O2/c1-11-16(18(23-26-11)17-14(20)5-4-6-15(17)21)19(25)22-12-7-9-13(10-8-12)24(2)3/h4-10H,1-3H3,(H,22,25)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=121.648 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.27 g/mol  logS: -6.10578  SlogP: 5.27512  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0975845  Sterimol/B1: 2.22614  Sterimol/B2: 3.90719  Sterimol/B3: 4.96786
  Sterimol/B4: 10.302  Sterimol/L: 15.0961 
 
 Surface and Volume Properties
  Accessible surface: 616.592  Positive charged surface: 336.928  Negative charged surface: 279.664  Volume: 346.25
  Hydrophobic surface: 576.252  Hydrophilic surface: 40.34
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.