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ENAMINE-ZINC03318306

 MMsINC code: MMs01368481
Type: Neutral
Formula: C19H19N3O4
SMILES:   o1cccc1CNC(=O)CN1C(=O)C2(NC1=O)CCc1c(C2)cccc1
InChI:   InChI=1/C19H19N3O4/c23-16(20-11-15-6-3-9-26-15)12-22-17(24)19(21-18(22)25)8-7-13-4-1-2-5-14(13)10-19/h1-6,9H,7-8,10-12H2,(H,20,23)(H,21,25)/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.9476 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.378 g/mol  logS: -3.94154  SlogP: 1.64164  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0743778  Sterimol/B1: 2.44006  Sterimol/B2: 3.48463  Sterimol/B3: 4.41964
  Sterimol/B4: 7.87116  Sterimol/L: 18.0022 
 
 Surface and Volume Properties
  Accessible surface: 604.174  Positive charged surface: 358.018  Negative charged surface: 246.156  Volume: 324.125
  Hydrophobic surface: 455.806  Hydrophilic surface: 148.368
 
 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.