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ENAMINE-ZINC03592625

 MMsINC code: MMs01519194
Type: Neutral
Formula: C16H26N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NCC(C)C)C(=O)NC12CCC(CC2)C
InChI:   InChI=1/C16H26N4O4/c1-10(2)8-17-14(23)18-12(21)9-20-13(22)16(19-15(20)24)6-4-11(3)5-7-16/h10-11H,4-9H2,1-3H3,(H,19,24)(H2,17,18,21,23)/t11-,16+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=6.37052 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.408 g/mol  logS: -3.1527  SlogP: 0.9689  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0315775  Sterimol/B1: 2.91421  Sterimol/B2: 3.51404  Sterimol/B3: 4.3416
  Sterimol/B4: 5.27022  Sterimol/L: 20.1381 
 
 Surface and Volume Properties
  Accessible surface: 607.817  Positive charged surface: 425.61  Negative charged surface: 182.207  Volume: 324
  Hydrophobic surface: 368.4  Hydrophilic surface: 239.417
 
 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.