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ENAMINE-ZINC03462733

 MMsINC code: MMs01458086
Type: Neutral
Formula: C19H17Cl2N3O3
SMILES:   Clc1ccccc1C1(NC(=O)N(CC(=O)NCc2ccccc2Cl)C1=O)C
InChI:   InChI=1/C19H17Cl2N3O3/c1-19(13-7-3-5-9-15(13)21)17(26)24(18(27)23-19)11-16(25)22-10-12-6-2-4-8-14(12)20/h2-9H,10-11H2,1H3,(H,22,25)(H,23,27)/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.991 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.269 g/mol  logS: -5.53865  SlogP: 3.6547  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.084786  Sterimol/B1: 2.61698  Sterimol/B2: 3.46891  Sterimol/B3: 5.4046
  Sterimol/B4: 7.0721  Sterimol/L: 16.8124 
 
 Surface and Volume Properties
  Accessible surface: 626.607  Positive charged surface: 313.871  Negative charged surface: 312.736  Volume: 349.375
  Hydrophobic surface: 486.361  Hydrophilic surface: 140.246
 
 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.