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ASINEX-ZINC06681630

 MMsINC code: MMs00445096
Type: Neutral
Formula: C7H10N2O3S2
SMILES:   s1cc(S(=O)(=O)N)cc1C(=O)NCC
InChI:   InChI=1/C7H10N2O3S2/c1-2-9-7(10)6-3-5(4-13-6)14(8,11)12/h3-4H,2H2,1H3,(H,9,10)(H2,8,11,12)

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Potential Energy
Epot(MMFF94)=-8.05637 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.3 g/mol  logS: -1.8915  SlogP: 0.1452  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0404448  Sterimol/B1: 2.79093  Sterimol/B2: 3.2248  Sterimol/B3: 3.57124
  Sterimol/B4: 3.99045  Sterimol/L: 14.0664 
 
 Surface and Volume Properties
  Accessible surface: 416.3  Positive charged surface: 212.103  Negative charged surface: 204.198  Volume: 188.375
  Hydrophobic surface: 211.478  Hydrophilic surface: 204.822
 
 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


MMs00445097
ASINEX-ZINC06681630