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


CHEMDIV-ZINC00864125

 MMsINC code: MMs00859012
Type: Neutral
Formula: C21H23N3O5
SMILES:   O(CC(O)CN1C(=O)C(NC1=O)(C)C)c1ccccc1C(=O)Nc1ccccc1
InChI:   InChI=1/C21H23N3O5/c1-21(2)19(27)24(20(28)23-21)12-15(25)13-29-17-11-7-6-10-16(17)18(26)22-14-8-4-3-5-9-14/h3-11,15,25H,12-13H2,1-2H3,(H,22,26)(H,23,28)/t15-/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)=95.0677 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.431 g/mol  logS: -4.30108  SlogP: 2.009  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0468644  Sterimol/B1: 3.07925  Sterimol/B2: 4.28946  Sterimol/B3: 4.88861
  Sterimol/B4: 9.59943  Sterimol/L: 17.4694 
 
 Surface and Volume Properties
  Accessible surface: 683.644  Positive charged surface: 415.105  Negative charged surface: 268.539  Volume: 373.125
  Hydrophobic surface: 493.565  Hydrophilic surface: 190.079
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.