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ENAMINE-ZINC06510248

 MMsINC code: MMs01666717
Type: Neutral
Formula: C18H26ClNO3
SMILES:   Clc1cc(cc(OC)c1OCCC)C(=O)NC1CCC(CC1)C
InChI:   InChI=1/C18H26ClNO3/c1-4-9-23-17-15(19)10-13(11-16(17)22-3)18(21)20-14-7-5-12(2)6-8-14/h10-12,14H,4-9H2,1-3H3,(H,20,21)/t12-,14+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=65.0338 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.863 g/mol  logS: -4.8814  SlogP: 4.4459  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0565523  Sterimol/B1: 2.98092  Sterimol/B2: 3.49713  Sterimol/B3: 4.32336
  Sterimol/B4: 7.32715  Sterimol/L: 17.1708 
 
 Surface and Volume Properties
  Accessible surface: 618.475  Positive charged surface: 430.614  Negative charged surface: 187.861  Volume: 336.125
  Hydrophobic surface: 532.237  Hydrophilic surface: 86.238
 
 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.