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ENAMINE-ZINC04477810

 MMsINC code: MMs01540637
Type: Neutral
Formula: C19H24ClN3O3
SMILES:   Clc1ccccc1C1(NC(=O)N(CC(=O)NC2CCCCC2C)C1=O)C
InChI:   InChI=1/C19H24ClN3O3/c1-12-7-3-6-10-15(12)21-16(24)11-23-17(25)19(2,22-18(23)26)13-8-4-5-9-14(13)20/h4-5,8-9,12,15H,3,6-7,10-11H2,1-2H3,(H,21,24)(H,22,26)/t12-,15-,19+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.1168 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.872 g/mol  logS: -4.70937  SlogP: 3.1134  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0650835  Sterimol/B1: 2.20182  Sterimol/B2: 3.56062  Sterimol/B3: 4.33602
  Sterimol/B4: 6.69538  Sterimol/L: 18.1306 
 
 Surface and Volume Properties
  Accessible surface: 616.843  Positive charged surface: 380.498  Negative charged surface: 236.345  Volume: 347.875
  Hydrophobic surface: 469.963  Hydrophilic surface: 146.88
 
 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.