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ENAMINE-ZINC06602774

 MMsINC code: MMs01683987
Type: Neutral
Formula: C11H14N2O4S
SMILES:   S(C)c1ccc(cc1[N+](=O)[O-])C(=O)NCCOC
InChI:   InChI=1/C11H14N2O4S/c1-17-6-5-12-11(14)8-3-4-10(18-2)9(7-8)13(15)16/h3-4,7H,5-6H2,1-2H3,(H,12,14)

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Potential Energy
Epot(MMFF94)=75.1077 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.309 g/mol  logS: -3.48528  SlogP: 1.6929  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0237202  Sterimol/B1: 2.38928  Sterimol/B2: 2.89205  Sterimol/B3: 3.4438
  Sterimol/B4: 6.87442  Sterimol/L: 14.6981 
 
 Surface and Volume Properties
  Accessible surface: 493.301  Positive charged surface: 294.989  Negative charged surface: 198.312  Volume: 238.125
  Hydrophobic surface: 340.512  Hydrophilic surface: 152.789
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.