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ASINEX-ZINC02673072

 MMsINC code: MMs00276123
Type: Neutral
Formula: C14H13NO4S2
SMILES:   S1\C(=C\c2cc3OCOc3cc2)\C(=O)N(CCOC)C1=S
InChI:   InChI=1/C14H13NO4S2/c1-17-5-4-15-13(16)12(21-14(15)20)7-9-2-3-10-11(6-9)19-8-18-10/h2-3,6-7H,4-5,8H2,1H3/b12-7-

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Potential Energy
Epot(MMFF94)=80.9705 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.393 g/mol  logS: -4.33569  SlogP: 2.2629  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0695866  Sterimol/B1: 2.11176  Sterimol/B2: 4.5141  Sterimol/B3: 5.07682
  Sterimol/B4: 5.46981  Sterimol/L: 15.7411 
 
 Surface and Volume Properties
  Accessible surface: 534.457  Positive charged surface: 332.319  Negative charged surface: 202.138  Volume: 275.5
  Hydrophobic surface: 352.925  Hydrophilic surface: 181.532
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.