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


CHEMBLOCK-ZINC02875323

 MMsINC code: MMs00534149
Type: Neutral
Formula: C19H30N2O2
SMILES:   O=C(NC(C(C)C)C(=O)NCCC(C)C)c1ccc(cc1)CC
InChI:   InChI=1/C19H30N2O2/c1-6-15-7-9-16(10-8-15)18(22)21-17(14(4)5)19(23)20-12-11-13(2)3/h7-10,13-14,17H,6,11-12H2,1-5H3,(H,20,23)(H,21,22)/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)=62.6805 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.461 g/mol  logS: -4.98289  SlogP: 3.16567  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0557931  Sterimol/B1: 3.23959  Sterimol/B2: 3.3031  Sterimol/B3: 4.49273
  Sterimol/B4: 6.72517  Sterimol/L: 20.1253 
 
 Surface and Volume Properties
  Accessible surface: 639.29  Positive charged surface: 436.289  Negative charged surface: 203.001  Volume: 344.125
  Hydrophobic surface: 483.107  Hydrophilic surface: 156.183
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.