logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


NCID-ZINC05351356

 MMsINC code: MMs02453974
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+/m0/s1

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=84.8004 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: 0.0959029  Sterimol/B1: 2.09995  Sterimol/B2: 2.96927  Sterimol/B3: 4.42716
  Sterimol/B4: 7.92834  Sterimol/L: 14.8156 
 
 Surface and Volume Properties
  Accessible surface: 546.011  Positive charged surface: 373.637  Negative charged surface: 172.374  Volume: 302.375
  Hydrophobic surface: 344.153  Hydrophilic surface: 201.858
 
 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
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.