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


NCID-ZINC01635353

 MMsINC code: MMs02279103
Type: Neutral
Formula: C25H30N2O3
SMILES:   O(CCC)c1cc2c([nH]cc2C(COC)c2c3cc(OCCC)ccc3[nH]c2)cc1
InChI:   InChI=1/C25H30N2O3/c1-4-10-29-17-6-8-24-19(12-17)21(14-26-24)23(16-28-3)22-15-27-25-9-7-18(13-20(22)25)30-11-5-2/h6-9,12-15,23,26-27H,4-5,10-11,16H2,1-3H3

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)=89.3113 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.526 g/mol  logS: -4.94353  SlogP: 6.0051  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133688  Sterimol/B1: 3.18919  Sterimol/B2: 4.39319  Sterimol/B3: 5.06679
  Sterimol/B4: 10.972  Sterimol/L: 17.347 
 
 Surface and Volume Properties
  Accessible surface: 766.597  Positive charged surface: 541.645  Negative charged surface: 215.921  Volume: 416.75
  Hydrophobic surface: 621.443  Hydrophilic surface: 145.154
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.