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


OTAVA-ZINC01984845

 MMsINC code: MMs02577705
Type: Neutral
Formula: C24H23ClN2O3
SMILES:   Clc1cccc(NC(=O)c2ccc(OC(C(=O)Nc3ccc(cc3)C)C)cc2)c1C
InChI:   InChI=1/C24H23ClN2O3/c1-15-7-11-19(12-8-15)26-23(28)17(3)30-20-13-9-18(10-14-20)24(29)27-22-6-4-5-21(25)16(22)2/h4-14,17H,1-3H3,(H,26,28)(H,27,29)/t17-/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)=136.966 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.912 g/mol  logS: -7.09757  SlogP: 5.61514  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.021651  Sterimol/B1: 2.16491  Sterimol/B2: 4.66141  Sterimol/B3: 5.08188
  Sterimol/B4: 5.32331  Sterimol/L: 23.3902 
 
 Surface and Volume Properties
  Accessible surface: 729.826  Positive charged surface: 385.808  Negative charged surface: 344.018  Volume: 402.25
  Hydrophobic surface: 636.165  Hydrophilic surface: 93.661
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.