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


AURORAFEINCHEMIE-ZINC02105522

 MMsINC code: MMs00450119
Type: Neutral
Formula: C20H24N2O3
SMILES:   OC(=O)C(NC(=O)NC(CCc1ccccc1)C)Cc1ccccc1
InChI:   InChI=1/C20H24N2O3/c1-15(12-13-16-8-4-2-5-9-16)21-20(25)22-18(19(23)24)14-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3,(H,23,24)(H2,21,22,25)/t15-,18+/m1/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)=37.7271 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.423 g/mol  logS: -3.78789  SlogP: 3.00274  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.112707  Sterimol/B1: 2.27562  Sterimol/B2: 3.40161  Sterimol/B3: 6.92186
  Sterimol/B4: 8.08844  Sterimol/L: 17.6035 
 
 Surface and Volume Properties
  Accessible surface: 648.312  Positive charged surface: 385.903  Negative charged surface: 262.409  Volume: 343.125
  Hydrophobic surface: 507.599  Hydrophilic surface: 140.713
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs00450120
AURORAFEINCHEMIE-ZINC02105522