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ENAMINE-ZINC06587358

 MMsINC code: MMs01679032
Type: Neutral
Formula: C18H26ClNO3
SMILES:   Clc1cc(cc(OC)c1OCC)C(=O)NC1CCCC(C)C1C
InChI:   InChI=1/C18H26ClNO3/c1-5-23-17-14(19)9-13(10-16(17)22-4)18(21)20-15-8-6-7-11(2)12(15)3/h9-12,15H,5-8H2,1-4H3,(H,20,21)/t11-,12-,15+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=81.573 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.863 g/mol  logS: -4.8814  SlogP: 4.3018  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0482318  Sterimol/B1: 3.45936  Sterimol/B2: 3.46527  Sterimol/B3: 4.09913
  Sterimol/B4: 6.89247  Sterimol/L: 17.6508 
 
 Surface and Volume Properties
  Accessible surface: 611.728  Positive charged surface: 419.358  Negative charged surface: 192.369  Volume: 331.875
  Hydrophobic surface: 508.878  Hydrophilic surface: 102.85
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.