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ENAMINE-ZINC03335817

 MMsINC code: MMs01379690
Type: Neutral
Formula: C15H20N2O4S
SMILES:   s1ccc(C)c1C(OCC(=O)NC(=O)NC1CCCCC1)=O
InChI:   InChI=1/C15H20N2O4S/c1-10-7-8-22-13(10)14(19)21-9-12(18)17-15(20)16-11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3,(H2,16,17,18,20)

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Potential Energy
Epot(MMFF94)=30.6144 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.401 g/mol  logS: -3.60599  SlogP: 2.37182  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0217316  Sterimol/B1: 2.05962  Sterimol/B2: 2.89184  Sterimol/B3: 3.58406
  Sterimol/B4: 6.00144  Sterimol/L: 19.5846 
 
 Surface and Volume Properties
  Accessible surface: 591.774  Positive charged surface: 378.754  Negative charged surface: 213.02  Volume: 300.375
  Hydrophobic surface: 461.892  Hydrophilic surface: 129.882
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.