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


ANALYTICONDISCOVERY-ZINC03842129

 MMsINC code: MMs00028912
Type: Neutral
Formula: C27H34N4O6
SMILES:   O(C)c1ccc(cc1)CC(NC(=O)C1N(CCN(C1)C(=O)c1ccc(N(C)C)cc1)C(=O)
C)C(OC)=O
InChI:   InChI=1/C27H34N4O6/c1-18(32)31-15-14-30(26(34)20-8-10-21(11-9-20)29(2)3)17-24(31)25(33)28-23(27(35)37-5)16-19-6-12-22(36-4)13-7-19/h6-13,23-24H,14-17H2,1-5H3,(H,28,33)/t23-,24+/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)=213.418 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 510.591 g/mol  logS: -4.0357  SlogP: 1.33457  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0525966  Sterimol/B1: 2.10249  Sterimol/B2: 3.1089  Sterimol/B3: 4.49203
  Sterimol/B4: 13.128  Sterimol/L: 20.0711 
 
 Surface and Volume Properties
  Accessible surface: 834.557  Positive charged surface: 634.397  Negative charged surface: 200.159  Volume: 491
  Hydrophobic surface: 733.653  Hydrophilic surface: 100.904
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.