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ENAMINE-ZINC04513292

 MMsINC code: MMs01544340
Type: Neutral
Formula: C19H23Cl2N3O3
SMILES:   Clc1cc(Cl)ccc1CNC(=O)CN1C(=O)C2(NC1=O)CCC(CC2)CC
InChI:   InChI=1/C19H23Cl2N3O3/c1-2-12-5-7-19(8-6-12)17(26)24(18(27)23-19)11-16(25)22-10-13-3-4-14(20)9-15(13)21/h3-4,9,12H,2,5-8,10-11H2,1H3,(H,22,25)(H,23,27)/t12-,19-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.8263 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.317 g/mol  logS: -5.94512  SlogP: 3.7668  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.049196  Sterimol/B1: 2.56372  Sterimol/B2: 2.65374  Sterimol/B3: 4.45836
  Sterimol/B4: 7.37694  Sterimol/L: 20.185 
 
 Surface and Volume Properties
  Accessible surface: 651.53  Positive charged surface: 364.903  Negative charged surface: 286.627  Volume: 365.375
  Hydrophobic surface: 503.677  Hydrophilic surface: 147.853
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.