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ENAMINE-ZINC06051633

 MMsINC code: MMs01651484
Type: Neutral
Formula: C19H19N5O3
SMILES:   o1c(nnc1CO\N=C(\N)/CC(=O)NCc1ccccc1)-c1ccccc1
InChI:   InChI=1/C19H19N5O3/c20-16(11-17(25)21-12-14-7-3-1-4-8-14)24-26-13-18-22-23-19(27-18)15-9-5-2-6-10-15/h1-10H,11-13H2,(H2,20,24)(H,21,25)

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Potential Energy
Epot(MMFF94)=84.4875 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.393 g/mol  logS: -5.48579  SlogP: 2.7647  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0379566  Sterimol/B1: 2.93161  Sterimol/B2: 3.65197  Sterimol/B3: 3.77621
  Sterimol/B4: 5.57419  Sterimol/L: 23.095 
 
 Surface and Volume Properties
  Accessible surface: 687.676  Positive charged surface: 424.522  Negative charged surface: 263.154  Volume: 343.875
  Hydrophobic surface: 485.888  Hydrophilic surface: 201.788
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.