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


CHEMBRIDGE-ZINC01157591

 MMsINC code: MMs00674770
Type: Neutral
Formula: C23H34N2O2
SMILES:   O=C(NC(Cc1ccccc1)C(=O)NC1CCC(CC1)C)C1CCCCC1
InChI:   InChI=1/C23H34N2O2/c1-17-12-14-20(15-13-17)24-23(27)21(16-18-8-4-2-5-9-18)25-22(26)19-10-6-3-7-11-19/h2,4-5,8-9,17,19-21H,3,6-7,10-16H2,1H3,(H,24,27)(H,25,26)/t17-,20+,21-/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)=69.1534 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.537 g/mol  logS: -5.60593  SlogP: 3.98907  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0775257  Sterimol/B1: 2.78702  Sterimol/B2: 5.08459  Sterimol/B3: 5.09897
  Sterimol/B4: 5.65662  Sterimol/L: 17.2414 
 
 Surface and Volume Properties
  Accessible surface: 643.778  Positive charged surface: 465.387  Negative charged surface: 178.391  Volume: 390.625
  Hydrophobic surface: 571.269  Hydrophilic surface: 72.509
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.