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ENAMINE-ZINC03446385

 MMsINC code: MMs01447699
Type: Neutral
Formula: C19H20ClNO3
SMILES:   Clc1ccc(cc1)CNC(=O)COc1ccc(cc1)CCC(=O)C
InChI:   InChI=1/C19H20ClNO3/c1-14(22)2-3-15-6-10-18(11-7-15)24-13-19(23)21-12-16-4-8-17(20)9-5-16/h4-11H,2-3,12-13H2,1H3,(H,21,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.0532 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.826 g/mol  logS: -4.36568  SlogP: 3.82317  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0340373  Sterimol/B1: 2.84068  Sterimol/B2: 3.10927  Sterimol/B3: 4.51134
  Sterimol/B4: 6.30436  Sterimol/L: 21.8023 
 
 Surface and Volume Properties
  Accessible surface: 651.281  Positive charged surface: 365.033  Negative charged surface: 286.248  Volume: 333
  Hydrophobic surface: 550.036  Hydrophilic surface: 101.245
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.