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ENAMINE-ZINC03505687

 MMsINC code: MMs01479609
Type: Neutral
Formula: C15H22N4O4
SMILES:   O=C1N(CC(=O)NC(=O)NC2CCCC2)C(=O)NC12CCCC2
InChI:   InChI=1/C15H22N4O4/c20-11(17-13(22)16-10-5-1-2-6-10)9-19-12(21)15(18-14(19)23)7-3-4-8-15/h10H,1-9H2,(H,18,23)(H2,16,17,20,22)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.95078 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.365 g/mol  logS: -2.34743  SlogP: 0.6194  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0506744  Sterimol/B1: 2.5681  Sterimol/B2: 3.73851  Sterimol/B3: 4.62723
  Sterimol/B4: 4.72074  Sterimol/L: 18.108 
 
 Surface and Volume Properties
  Accessible surface: 573.283  Positive charged surface: 414.409  Negative charged surface: 158.874  Volume: 299
  Hydrophobic surface: 386.821  Hydrophilic surface: 186.462
 
 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.