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


NCID-ZINC01690374

 MMsINC code: MMs02322691
Type: Neutral
Formula: C26H29NO2
SMILES:   OC(C(O)C(N1CCCCC1)c1ccccc1)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C26H29NO2/c28-25(24(21-13-5-1-6-14-21)27-19-11-4-12-20-27)26(29,22-15-7-2-8-16-22)23-17-9-3-10-18-23/h1-3,5-10,13-18,24-25,28-29H,4,11-12,19-20H2/t24-,25-/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)=168.231 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.523 g/mol  logS: -5.1412  SlogP: 4.9176  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.450053  Sterimol/B1: 2.73494  Sterimol/B2: 3.06044  Sterimol/B3: 7.33068
  Sterimol/B4: 8.43588  Sterimol/L: 13.1577 
 
 Surface and Volume Properties
  Accessible surface: 626.914  Positive charged surface: 393.196  Negative charged surface: 233.718  Volume: 397.75
  Hydrophobic surface: 607.218  Hydrophilic surface: 19.696
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02322692
NCID-ZINC01690374