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BACHEM-ZINC04899679

 MMsINC code: MMs00485191
Type: Neutral
Formula: C18H32N4O5
SMILES:   OC(=O)C(NC(=O)C1N(CCC1)C(=O)C(NC(=O)C)CCCCN)C(C)C
InChI:   InChI=1/C18H32N4O5/c1-11(2)15(18(26)27)21-16(24)14-8-6-10-22(14)17(25)13(20-12(3)23)7-4-5-9-19/h11,13-15H,4-10,19H2,1-3H3,(H,20,23)(H,21,24)(H,26,27)/t13-,14-,15+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=112.823 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.477 g/mol  logS: -1.58526  SlogP: -0.1635  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152213  Sterimol/B1: 2.5328  Sterimol/B2: 5.02899  Sterimol/B3: 6.08179
  Sterimol/B4: 7.01173  Sterimol/L: 17.3703 
 
 Surface and Volume Properties
  Accessible surface: 681.689  Positive charged surface: 510.996  Negative charged surface: 170.693  Volume: 372.125
  Hydrophobic surface: 424.923  Hydrophilic surface: 256.766
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.