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


PUBCHEM-ZINC03038835

 MMsINC code: MMs02984322
Type: Neutral
Formula: C21H29ClN2O2
SMILES:   ClCC(=O)N(C(C(=O)NC1CCCCCC1)c1ccc(cc1)C)C1CC1
InChI:   InChI=1/C21H29ClN2O2/c1-15-8-10-16(11-9-15)20(24(18-12-13-18)19(25)14-22)21(26)23-17-6-4-2-3-5-7-17/h8-11,17-18,20H,2-7,12-14H2,1H3,(H,23,26)/t20-/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)=143.699 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.928 g/mol  logS: -5.37553  SlogP: 4.20042  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.127781  Sterimol/B1: 2.26549  Sterimol/B2: 3.73864  Sterimol/B3: 4.4029
  Sterimol/B4: 10.8808  Sterimol/L: 14.6773 
 
 Surface and Volume Properties
  Accessible surface: 639.306  Positive charged surface: 393.157  Negative charged surface: 246.149  Volume: 374.75
  Hydrophobic surface: 493.562  Hydrophilic surface: 145.744
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.