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ENAMINE-ZINC05559945

 MMsINC code: MMs01623004
Type: Neutral
Formula: C19H17ClFN3O3
SMILES:   Clc1cccc(F)c1C1NC(=O)NC(C)=C1C(=O)Nc1ccc(OC)cc1
InChI:   InChI=1/C19H17ClFN3O3/c1-10-15(18(25)23-11-6-8-12(27-2)9-7-11)17(24-19(26)22-10)16-13(20)4-3-5-14(16)21/h3-9,17H,1-2H3,(H,23,25)(H2,22,24,26)/t17-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.9515 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.814 g/mol  logS: -5.18547  SlogP: 3.8498  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129881  Sterimol/B1: 2.41602  Sterimol/B2: 3.61813  Sterimol/B3: 4.25002
  Sterimol/B4: 9.32847  Sterimol/L: 16.5215 
 
 Surface and Volume Properties
  Accessible surface: 576.795  Positive charged surface: 329.678  Negative charged surface: 247.117  Volume: 334.375
  Hydrophobic surface: 459.99  Hydrophilic surface: 116.805
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.