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


PUBCHEM-ZINC06255687

 MMsINC code: MMs03641119
Type: Neutral
Formula: C24H37N3O3
SMILES:   O=C1N2C(C3CC(CN(C3)C(=O)CCCC(=O)NC(CCCC(C)C)C)C2)=CC=C1
InChI:   InChI=1/C24H37N3O3/c1-17(2)7-4-8-18(3)25-22(28)10-6-11-23(29)26-14-19-13-20(16-26)21-9-5-12-24(30)27(21)15-19/h5,9,12,17-20H,4,6-8,10-11,13-16H2,1-3H3,(H,25,28)/t18-,19-,20+/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)=56.1522 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 415.578 g/mol  logS: -4.33724  SlogP: 3.2483  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0553948  Sterimol/B1: 2.68671  Sterimol/B2: 3.35262  Sterimol/B3: 5.19015
  Sterimol/B4: 8.61614  Sterimol/L: 18.8629 
 
 Surface and Volume Properties
  Accessible surface: 738.916  Positive charged surface: 546.452  Negative charged surface: 192.464  Volume: 426.875
  Hydrophobic surface: 583.612  Hydrophilic surface: 155.304
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.