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NCID-ZINC01862714

 MMsINC code: MMs02374256
Type: Neutral
Formula: C11H16N2O3S
SMILES:   S(CC=C)CCOCN1C=C(C)C(=O)NC1=O
InChI:   InChI=1/C11H16N2O3S/c1-3-5-17-6-4-16-8-13-7-9(2)10(14)12-11(13)15/h3,7H,1,4-6,8H2,2H3,(H,12,14,15)

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Potential Energy
Epot(MMFF94)=2.29905 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.326 g/mol  logS: -1.66026  SlogP: 1.3353  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0790132  Sterimol/B1: 2.18007  Sterimol/B2: 3.09544  Sterimol/B3: 4.14477
  Sterimol/B4: 6.80619  Sterimol/L: 15.4262 
 
 Surface and Volume Properties
  Accessible surface: 508.939  Positive charged surface: 325.31  Negative charged surface: 183.629  Volume: 239.75
  Hydrophobic surface: 283.737  Hydrophilic surface: 225.202
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.