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ENAMINE-ZINC02627559

 MMsINC code: MMs01259893
Type: Neutral
Formula: C19H18ClN3O3
SMILES:   Clc1cc(NC(=O)CN2C(=O)C(NC2=O)Cc2ccccc2)ccc1C
InChI:   InChI=1/C19H18ClN3O3/c1-12-7-8-14(10-15(12)20)21-17(24)11-23-18(25)16(22-19(23)26)9-13-5-3-2-4-6-13/h2-8,10,16H,9,11H2,1H3,(H,21,24)(H,22,26)/t16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.3342 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.824 g/mol  logS: -4.75505  SlogP: 2.74999  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0501116  Sterimol/B1: 2.51357  Sterimol/B2: 3.75812  Sterimol/B3: 4.36615
  Sterimol/B4: 6.24099  Sterimol/L: 19.3635 
 
 Surface and Volume Properties
  Accessible surface: 627.826  Positive charged surface: 333.231  Negative charged surface: 294.595  Volume: 337
  Hydrophobic surface: 491.531  Hydrophilic surface: 136.295
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.