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PUBCHEM-ZINC05395407

 MMsINC code: MMs03257406
Type: Neutral
Formula: C15H24N4O5S
SMILES:   SCC(NC(=O)CN1C(=O)CCC1=O)C(=O)NC(CC(C)C)C(=O)N
InChI:   InChI=1/C15H24N4O5S/c1-8(2)5-9(14(16)23)18-15(24)10(7-25)17-11(20)6-19-12(21)3-4-13(19)22/h8-10,25H,3-7H2,1-2H3,(H2,16,23)(H,17,20)(H,18,24)/t9-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=61.3176 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.446 g/mol  logS: -3.12869  SlogP: -1.4338  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.079419  Sterimol/B1: 2.54104  Sterimol/B2: 3.02661  Sterimol/B3: 5.05721
  Sterimol/B4: 6.96814  Sterimol/L: 17.0599 
 
 Surface and Volume Properties
  Accessible surface: 629.047  Positive charged surface: 410.016  Negative charged surface: 219.031  Volume: 336
  Hydrophobic surface: 327.091  Hydrophilic surface: 301.956
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.