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NANOSIN-ZINC04661847

 MMsINC code: MMs02209209
Type: Neutral
Formula: C10H15NO3S
SMILES:   S(Oc1ccccc1)(=O)(=O)CCN(C)C
InChI:   InChI=1/C10H15NO3S/c1-11(2)8-9-15(12,13)14-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3

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Potential Energy
Epot(MMFF94)=48.3019 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.3 g/mol  logS: -1.55624  SlogP: 0.9568  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0812739  Sterimol/B1: 2.73733  Sterimol/B2: 3.53226  Sterimol/B3: 3.96021
  Sterimol/B4: 5.16161  Sterimol/L: 12.8868 
 
 Surface and Volume Properties
  Accessible surface: 431.581  Positive charged surface: 284.286  Negative charged surface: 147.295  Volume: 211.5
  Hydrophobic surface: 356.022  Hydrophilic surface: 75.559
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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


MMs02209210
NANOSIN-ZINC04661847