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NCID-ZINC01761445

 MMsINC code: MMs02367509
Type: Neutral
Formula: C14H24N2O4S
SMILES:   S1CC(N(C=O)C1(C)C)C(=O)NC(C(CC)C)C(OC)=O
InChI:   InChI=1/C14H24N2O4S/c1-6-9(2)11(13(19)20-5)15-12(18)10-7-21-14(3,4)16(10)8-17/h8-11H,6-7H2,1-5H3,(H,15,18)/t9-,10+,11+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.41 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.422 g/mol  logS: -3.23121  SlogP: 1.0002  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0961759  Sterimol/B1: 1.98599  Sterimol/B2: 2.80839  Sterimol/B3: 4.79793
  Sterimol/B4: 7.51711  Sterimol/L: 15.1201 
 
 Surface and Volume Properties
  Accessible surface: 545.023  Positive charged surface: 381.066  Negative charged surface: 163.956  Volume: 301.875
  Hydrophobic surface: 349.561  Hydrophilic surface: 195.462
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.