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AURORAFEINCHEMIE-ZINC02417961

 MMsINC code: MMs00453293
Type: Ionized
Formula: C11H19N2O3S-
SMILES:   S(CCC(NC(=O)NC1CCCC1)C(=O)[O-])C
InChI:   InChI=1/C11H20N2O3S/c1-17-7-6-9(10(14)15)13-11(16)12-8-4-2-3-5-8/h8-9H,2-7H2,1H3,(H,14,15)(H2,12,13,16)/p-1/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=1.92011 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.35 g/mol  logS: -2.01019  SlogP: 0.0998  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0975031  Sterimol/B1: 2.29866  Sterimol/B2: 3.22875  Sterimol/B3: 3.57
  Sterimol/B4: 8.84427  Sterimol/L: 12.8349 
 
 Surface and Volume Properties
  Accessible surface: 497.386  Positive charged surface: 307.621  Negative charged surface: 189.765  Volume: 247.375
  Hydrophobic surface: 327.273  Hydrophilic surface: 170.113
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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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MMs00453292
AURORAFEINCHEMIE-ZINC02417961