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ENAMINE-ZINC05560730

 MMsINC code: MMs01623700
Type: Neutral
Formula: C15H18N3O3-
SMILES:   O=C([O-])c1ccc(cc1)\C=N\NC(=O)NC1CCCCC1
InChI:   InChI=1/C15H19N3O3/c19-14(20)12-8-6-11(7-9-12)10-16-18-15(21)17-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,19,20)(H2,17,18,21)/p-1/b16-10+

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Potential Energy
Epot(MMFF94)=26.9705 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.327 g/mol  logS: -3.31246  SlogP: 1.0159  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0395147  Sterimol/B1: 3.54432  Sterimol/B2: 3.55216  Sterimol/B3: 3.81184
  Sterimol/B4: 6.3587  Sterimol/L: 17.0171 
 
 Surface and Volume Properties
  Accessible surface: 550.427  Positive charged surface: 341.202  Negative charged surface: 209.225  Volume: 276.75
  Hydrophobic surface: 364.798  Hydrophilic surface: 185.629
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  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


MMs01623701
ENAMINE-ZINC05560730