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


MDPI-ZINC03847303

 MMsINC code: MMs02180779
Type: Neutral
Formula: C23H30N2O4
SMILES:   O(C)c1cc2c(c(-c3c4c(cc(OC)c3O)CCN(C4)C)c1O)C(N(CC2)C)C
InChI:   InChI=1/C23H30N2O4/c1-13-19-15(7-9-25(13)3)11-18(29-5)23(27)21(19)20-16-12-24(2)8-6-14(16)10-17(28-4)22(20)26/h10-11,13,26-27H,6-9,12H2,1-5H3/t13-/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)=177.893 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.503 g/mol  logS: -3.62597  SlogP: 3.68064  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.4714  Sterimol/B1: 3.46191  Sterimol/B2: 4.68719  Sterimol/B3: 7.11651
  Sterimol/B4: 7.97154  Sterimol/L: 13.4637 
 
 Surface and Volume Properties
  Accessible surface: 638.492  Positive charged surface: 546.377  Negative charged surface: 92.115  Volume: 389
  Hydrophobic surface: 536.039  Hydrophilic surface: 102.453
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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


MMs02180780
MDPI-ZINC03847303