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


CHEMDIV-ZINC07003590

 MMsINC code: MMs01070159
Type: Neutral
Formula: C24H23FN4O
SMILES:   Fc1cc(-n2nc(c3c2nc(cc3C(=O)NCC(C)c2ccccc2)C)C)ccc1
InChI:   InChI=1/C24H23FN4O/c1-15(18-8-5-4-6-9-18)14-26-24(30)21-12-16(2)27-23-22(21)17(3)28-29(23)20-11-7-10-19(25)13-20/h4-13,15H,14H2,1-3H3,(H,26,30)/t15-/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)=109.246 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.473 g/mol  logS: -6.46342  SlogP: 4.70994  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0330539  Sterimol/B1: 2.02193  Sterimol/B2: 3.34937  Sterimol/B3: 4.04556
  Sterimol/B4: 9.04902  Sterimol/L: 21.1522 
 
 Surface and Volume Properties
  Accessible surface: 695.984  Positive charged surface: 401.209  Negative charged surface: 289.121  Volume: 390.375
  Hydrophobic surface: 638.628  Hydrophilic surface: 57.356
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.