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ENAMINE-ZINC05492020

 MMsINC code: MMs01616848
Type: Neutral
Formula: C16H13F2N5O
SMILES:   Fc1cc(ccc1NC(=O)Cn1nc(nn1)-c1ccc(F)cc1)C
InChI:   InChI=1/C16H13F2N5O/c1-10-2-7-14(13(18)8-10)19-15(24)9-23-21-16(20-22-23)11-3-5-12(17)6-4-11/h2-8H,9H2,1H3,(H,19,24)

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Potential Energy
Epot(MMFF94)=78.8204 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.31 g/mol  logS: -4.97544  SlogP: 2.83182  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0614008  Sterimol/B1: 2.46761  Sterimol/B2: 3.7669  Sterimol/B3: 4.25928
  Sterimol/B4: 6.59082  Sterimol/L: 18.0045 
 
 Surface and Volume Properties
  Accessible surface: 575.961  Positive charged surface: 294.694  Negative charged surface: 281.267  Volume: 285.25
  Hydrophobic surface: 473.173  Hydrophilic surface: 102.788
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.