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ENAMINE-ZINC06381878

 MMsINC code: MMs01662684
Type: Neutral
Formula: C19H18ClFN4O2
SMILES:   Clc1cc(F)c(NC(=O)Cn2c3c(nc2C(NC(=O)C)C)cccc3)cc1
InChI:   InChI=1/C19H18ClFN4O2/c1-11(22-12(2)26)19-24-16-5-3-4-6-17(16)25(19)10-18(27)23-15-8-7-13(20)9-14(15)21/h3-9,11H,10H2,1-2H3,(H,22,26)(H,23,27)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=61.2258 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.83 g/mol  logS: -5.03681  SlogP: 4.0265  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114847  Sterimol/B1: 2.30657  Sterimol/B2: 4.18299  Sterimol/B3: 5.41309
  Sterimol/B4: 8.8301  Sterimol/L: 16.4924 
 
 Surface and Volume Properties
  Accessible surface: 638.641  Positive charged surface: 329.827  Negative charged surface: 308.813  Volume: 346
  Hydrophobic surface: 528.366  Hydrophilic surface: 110.275
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.