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PUBCHEM-ZINC06358310

 MMsINC code: MMs03684696
Type: Neutral
Formula: C15H27N5O4S
SMILES:   S(CC(=O)N1CC(NC(=O)NC(C)C)CC1C(=O)N(CC(=O)N)C)C
InChI:   InChI=1/C15H27N5O4S/c1-9(2)17-15(24)18-10-5-11(14(23)19(3)7-12(16)21)20(6-10)13(22)8-25-4/h9-11H,5-8H2,1-4H3,(H2,16,21)(H2,17,18,24)/t10-,11-/m1/s1

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Potential Energy
Epot(MMFF94)=76.264 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.478 g/mol  logS: -2.01296  SlogP: -1.0298  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.093216  Sterimol/B1: 3.20014  Sterimol/B2: 3.41426  Sterimol/B3: 4.8143
  Sterimol/B4: 10.4934  Sterimol/L: 16.874 
 
 Surface and Volume Properties
  Accessible surface: 664.242  Positive charged surface: 475.567  Negative charged surface: 188.675  Volume: 353.25
  Hydrophobic surface: 382.486  Hydrophilic surface: 281.756
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.