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PUBCHEM-ZINC06486987

 MMsINC code: MMs03761810
Type: Neutral
Formula: C14H23N3O5S
SMILES:   S(CC(N1C(=O)C(NC1=O)C(C)C)C(=O)NC(C(OC)=O)C)C
InChI:   InChI=1/C14H23N3O5S/c1-7(2)10-12(19)17(14(21)16-10)9(6-23-5)11(18)15-8(3)13(20)22-4/h7-10H,6H2,1-5H3,(H,15,18)(H,16,21)/t8-,9+,10+/m1/s1

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Potential Energy
Epot(MMFF94)=45.8575 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.42 g/mol  logS: -2.66507  SlogP: -0.0279  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0780932  Sterimol/B1: 2.59107  Sterimol/B2: 3.73142  Sterimol/B3: 4.28783
  Sterimol/B4: 7.85004  Sterimol/L: 17.5908 
 
 Surface and Volume Properties
  Accessible surface: 583.213  Positive charged surface: 398.128  Negative charged surface: 185.085  Volume: 315.25
  Hydrophobic surface: 371.778  Hydrophilic surface: 211.435
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: 1
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Ions/Tautomers related molecules: no related molecules available.