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FDA-ZINC03831523

 MMsINC code: MMs01727426
Type: Neutral
Formula: C11H18N2O2S
SMILES:   S=C1NC(=O)C(C(CCC)C)(CC)C(=O)N1
InChI:   InChI=1/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)/t7-/m1/s1

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Drug Similarity  
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Potential Energy
Epot(MMFF94)=9.79172 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.343 g/mol  logS: -4.64263  SlogP: 1.3499  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.194889  Sterimol/B1: 3.3918  Sterimol/B2: 4.60773  Sterimol/B3: 4.64433
  Sterimol/B4: 4.65141  Sterimol/L: 13.4129 
 
 Surface and Volume Properties
  Accessible surface: 438.586  Positive charged surface: 244.805  Negative charged surface: 193.782  Volume: 229.375
  Hydrophobic surface: 210.013  Hydrophilic surface: 228.573
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.