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ENAMINE-ZINC03461313

 MMsINC code: MMs01457278
Type: Neutral
Formula: C19H26N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NCCC(C)C)C(=O)NC1(C)c1ccc(cc1)C
InChI:   InChI=1/C19H26N4O4/c1-12(2)9-10-20-17(26)21-15(24)11-23-16(25)19(4,22-18(23)27)14-7-5-13(3)6-8-14/h5-8,12H,9-11H2,1-4H3,(H,22,27)(H2,20,21,24,26)/t19-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.3668 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.441 g/mol  logS: -4.56404  SlogP: 1.94542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0372455  Sterimol/B1: 2.56524  Sterimol/B2: 3.67297  Sterimol/B3: 4.56386
  Sterimol/B4: 5.83482  Sterimol/L: 22.2931 
 
 Surface and Volume Properties
  Accessible surface: 678.029  Positive charged surface: 436.824  Negative charged surface: 241.205  Volume: 359.875
  Hydrophobic surface: 435.401  Hydrophilic surface: 242.628
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.