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ENAMINE-ZINC05109675

 MMsINC code: MMs01587068
Type: Neutral
Formula: C15H17ClFNO3
SMILES:   Clc1cccc(F)c1C(OC(C(=O)NC1CCCC1)C)=O
InChI:   InChI=1/C15H17ClFNO3/c1-9(14(19)18-10-5-2-3-6-10)21-15(20)13-11(16)7-4-8-12(13)17/h4,7-10H,2-3,5-6H2,1H3,(H,18,19)/t9-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.2024 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.756 g/mol  logS: -4.25158  SlogP: 3.0832  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0427689  Sterimol/B1: 2.10683  Sterimol/B2: 3.44222  Sterimol/B3: 3.57135
  Sterimol/B4: 6.86414  Sterimol/L: 16.4965 
 
 Surface and Volume Properties
  Accessible surface: 551.124  Positive charged surface: 305.058  Negative charged surface: 246.066  Volume: 279.375
  Hydrophobic surface: 468.81  Hydrophilic surface: 82.314
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.