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


PUBCHEM-ZINC03602506

 MMsINC code: MMs03019313
Type: Neutral
Formula: C19H31N3O3
SMILES:   O(CC(O)CNC(C)C)c1ccc(NC(=O)NC2CCCCC2)cc1
InChI:   InChI=1/C19H31N3O3/c1-14(2)20-12-17(23)13-25-18-10-8-16(9-11-18)22-19(24)21-15-6-4-3-5-7-15/h8-11,14-15,17,20,23H,3-7,12-13H2,1-2H3,(H2,21,22,24)/t17-/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)=49.3448 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.475 g/mol  logS: -3.16853  SlogP: 2.8785  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.026815  Sterimol/B1: 3.04059  Sterimol/B2: 3.7065  Sterimol/B3: 4.13397
  Sterimol/B4: 4.82264  Sterimol/L: 23.1188 
 
 Surface and Volume Properties
  Accessible surface: 687.428  Positive charged surface: 507.05  Negative charged surface: 180.377  Volume: 362.5
  Hydrophobic surface: 525.577  Hydrophilic surface: 161.851
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs03019314
PUBCHEM-ZINC03602506