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ENAMINE-ZINC04515604

 MMsINC code: MMs01544952
Type: Neutral
Formula: C19H23Cl2N3O3
SMILES:   Clc1cc(Cl)ccc1C(NC(=O)CN1C(=O)C2(NC1=O)CCCCC2C)C
InChI:   InChI=1/C19H23Cl2N3O3/c1-11-5-3-4-8-19(11)17(26)24(18(27)23-19)10-16(25)22-12(2)14-7-6-13(20)9-15(14)21/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,22,25)(H,23,27)/t11-,12+,19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.6131 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.317 g/mol  logS: -5.44366  SlogP: 3.7668  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106769  Sterimol/B1: 2.9797  Sterimol/B2: 3.11147  Sterimol/B3: 5.52703
  Sterimol/B4: 6.22294  Sterimol/L: 17.5853 
 
 Surface and Volume Properties
  Accessible surface: 641.192  Positive charged surface: 345.003  Negative charged surface: 296.189  Volume: 365.625
  Hydrophobic surface: 500.891  Hydrophilic surface: 140.301
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.