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


NCID-ZINC05732952

 MMsINC code: MMs02491854
Type: Neutral
Formula: C19H25NO3
SMILES:   O(C)c1ccc2c(C34C(C(N(CC3)C)C2)CCC(=O)C4C)c1O
InChI:   InChI=1/C19H25NO3/c1-11-15(21)6-5-13-14-10-12-4-7-16(23-3)18(22)17(12)19(11,13)8-9-20(14)2/h4,7,11,13-14,22H,5-6,8-10H2,1-3H3/t11-,13-,14+,19-/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)=129.31 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.413 g/mol  logS: -2.01373  SlogP: 2.51397  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.374767  Sterimol/B1: 2.519  Sterimol/B2: 2.90702  Sterimol/B3: 6.06381
  Sterimol/B4: 7.71732  Sterimol/L: 13.1268 
 
 Surface and Volume Properties
  Accessible surface: 498.341  Positive charged surface: 390.616  Negative charged surface: 107.726  Volume: 308
  Hydrophobic surface: 420.357  Hydrophilic surface: 77.984
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs02491855
NCID-ZINC05732952