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


AURORAFEINCHEMIE-ZINC06732235

 MMsINC code: MMs00480282
Type: Neutral
Formula: C14H22N2O3
SMILES:   O(C)c1c(OC)cc(cc1OC)C1NCCCNC1
InChI:   InChI=1/C14H22N2O3/c1-17-12-7-10(8-13(18-2)14(12)19-3)11-9-15-5-4-6-16-11/h7-8,11,15-16H,4-6,9H2,1-3H3/t11-/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)=99.9324 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.341 g/mol  logS: -1.39407  SlogP: 1.4319  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122097  Sterimol/B1: 2.28796  Sterimol/B2: 3.39471  Sterimol/B3: 4.40274
  Sterimol/B4: 9.53496  Sterimol/L: 14.197 
 
 Surface and Volume Properties
  Accessible surface: 518.011  Positive charged surface: 465.805  Negative charged surface: 52.2058  Volume: 267.125
  Hydrophobic surface: 454.207  Hydrophilic surface: 63.804
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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


MMs00480283
AURORAFEINCHEMIE-ZINC06732235