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PUBCHEM-ZINC05410638

 MMsINC code: MMs03260277
Type: Neutral
Formula: C10H18N2O3S
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)/t7-,8+/m1/s1

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Potential Energy
Epot(MMFF94)=10.3246 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.331 g/mol  logS: -1.73992  SlogP: 1.0013  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0506384  Sterimol/B1: 3.1901  Sterimol/B2: 3.27407  Sterimol/B3: 4.3018
  Sterimol/B4: 4.92272  Sterimol/L: 15.6603 
 
 Surface and Volume Properties
  Accessible surface: 475.932  Positive charged surface: 317.666  Negative charged surface: 158.267  Volume: 225.875
  Hydrophobic surface: 226.041  Hydrophilic surface: 249.891
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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


MMs03260278
PUBCHEM-ZINC05410638