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PUBCHEM-ZINC05410638

 MMsINC code: MMs03260278
Type: Ionized
Formula: C10H17N2O3S-
SMILES:   SCC1NC(=O)NC1CCCCCC(=O)[O-]
InChI:   InChI=1/C10H18N2O3S/c13-9(14)5-3-1-2-4-7-8(6-16)12-10(15)11-7/h7-8,16H,1-6H2,(H,13,14)(H2,11,12,15)/p-1/t7-,8+/m1/s1

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Potential Energy
Epot(MMFF94)=1.62493 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.323 g/mol  logS: -2.00037  SlogP: -0.3334  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0472041  Sterimol/B1: 2.88612  Sterimol/B2: 3.19938  Sterimol/B3: 4.02183
  Sterimol/B4: 5.14017  Sterimol/L: 15.7875 
 
 Surface and Volume Properties
  Accessible surface: 477.232  Positive charged surface: 297.297  Negative charged surface: 179.935  Volume: 228.875
  Hydrophobic surface: 225.459  Hydrophilic surface: 251.773
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 2  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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MMs03260277
PUBCHEM-ZINC05410638