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


ACROSORGANICS-ZINC04284529

 MMsINC code: MMs00018179
Type: Neutral
Formula: C14H19NO4
SMILES:   O(Cc1ccccc1)C(=O)NC(C(CC)C)C(O)=O
InChI:   InChI=1/C14H19NO4/c1-3-10(2)12(13(16)17)15-14(18)19-9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,15,18)(H,16,17)/t10-,12-/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)=34.3036 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 265.309 g/mol  logS: -2.84964  SlogP: 2.6785  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0662438  Sterimol/B1: 2.53409  Sterimol/B2: 3.46855  Sterimol/B3: 3.6468
  Sterimol/B4: 5.91547  Sterimol/L: 16.6868 
 
 Surface and Volume Properties
  Accessible surface: 519.91  Positive charged surface: 328.603  Negative charged surface: 191.307  Volume: 260.125
  Hydrophobic surface: 353.075  Hydrophilic surface: 166.835
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs00018180
ACROSORGANICS-ZINC04284529