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PUBCHEM-ZINC04533810

 MMsINC code: MMs03130804
Type: Neutral
Formula: C18H34N4O5
SMILES:   OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N)C)CC(C)C)C)CC(C)C
InChI:   InChI=1/C18H34N4O5/c1-9(2)7-13(21-15(23)11(5)19)17(25)20-12(6)16(24)22-14(18(26)27)8-10(3)4/h9-14H,7-8,19H2,1-6H3,(H,20,25)(H,21,23)(H,22,24)(H,26,27)/t11-,12-,13-,14+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=97.027 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.493 g/mol  logS: -3.56871  SlogP: -0.0153  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.067378  Sterimol/B1: 2.42282  Sterimol/B2: 3.4976  Sterimol/B3: 6.42112
  Sterimol/B4: 6.97984  Sterimol/L: 18.9707 
 
 Surface and Volume Properties
  Accessible surface: 705.141  Positive charged surface: 486.949  Negative charged surface: 218.192  Volume: 383.875
  Hydrophobic surface: 368.382  Hydrophilic surface: 336.759
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.