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


ASINEX-ZINC00906044

 MMsINC code: MMs00214957
Type: Neutral
Formula: C30H30FN5O4
SMILES:   Fc1ccc(N(C(C(=O)NC2CCCCC2)c2ccc(cc2)C(OC)=O)C(=O)Cn2nnc3c2cc
cc3)cc1
InChI:   InChI=1/C30H30FN5O4/c1-40-30(39)21-13-11-20(12-14-21)28(29(38)32-23-7-3-2-4-8-23)36(24-17-15-22(31)16-18-24)27(37)19-35-26-10-6-5-9-25(26)33-34-35/h5-6,9-18,23,28H,2-4,7-8,19H2,1H3,(H,32,38)/t28-/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)=153.678 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 543.599 g/mol  logS: -7.02943  SlogP: 4.9423  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14701  Sterimol/B1: 2.3858  Sterimol/B2: 4.36261  Sterimol/B3: 5.73512
  Sterimol/B4: 12.6009  Sterimol/L: 18.6196 
 
 Surface and Volume Properties
  Accessible surface: 829.971  Positive charged surface: 526.102  Negative charged surface: 303.868  Volume: 505.25
  Hydrophobic surface: 693.308  Hydrophilic surface: 136.663
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.