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ENAMINE-ZINC03527656

 MMsINC code: MMs01492197
Type: Neutral
Formula: C19H30N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NC2CCCCC2)C(=O)NC12CCCCCCC2
InChI:   InChI=1/C19H30N4O4/c24-15(21-17(26)20-14-9-5-4-6-10-14)13-23-16(25)19(22-18(23)27)11-7-2-1-3-8-12-19/h14H,1-13H2,(H,22,27)(H2,20,21,24,26)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.2527 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.473 g/mol  logS: -4.40831  SlogP: 2.1798  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0410438  Sterimol/B1: 2.54188  Sterimol/B2: 3.50443  Sterimol/B3: 5.33522
  Sterimol/B4: 5.40273  Sterimol/L: 19.636 
 
 Surface and Volume Properties
  Accessible surface: 643.388  Positive charged surface: 467.897  Negative charged surface: 175.492  Volume: 358
  Hydrophobic surface: 465.123  Hydrophilic surface: 178.265
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.