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ENAMINE-ZINC06522941

 MMsINC code: MMs01667529
Type: Neutral
Formula: C18H23ClFNO3
SMILES:   Clc1cccc(F)c1CC(OCC(=O)NC1CCCC(C)C1C)=O
InChI:   InChI=1/C18H23ClFNO3/c1-11-5-3-8-16(12(11)2)21-17(22)10-24-18(23)9-13-14(19)6-4-7-15(13)20/h4,6-7,11-12,16H,3,5,8-10H2,1-2H3,(H,21,22)/t11-,12-,16-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.9822 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.837 g/mol  logS: -5.21805  SlogP: 3.50567  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0414317  Sterimol/B1: 2.32478  Sterimol/B2: 3.44041  Sterimol/B3: 4.60589
  Sterimol/B4: 5.67765  Sterimol/L: 18.7111 
 
 Surface and Volume Properties
  Accessible surface: 615.911  Positive charged surface: 363.861  Negative charged surface: 252.051  Volume: 326.125
  Hydrophobic surface: 508.088  Hydrophilic surface: 107.823
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.