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


CHEMDIV-ZINC06877976

 MMsINC code: MMs01053510
Type: Neutral
Formula: C23H32N2O2
SMILES:   O(C(C)C)CCCNC(=O)c1ccc(-n2c3CCC(Cc3cc2C)C)cc1
InChI:   InChI=1/C23H32N2O2/c1-16(2)27-13-5-12-24-23(26)19-7-9-21(10-8-19)25-18(4)15-20-14-17(3)6-11-22(20)25/h7-10,15-17H,5-6,11-14H2,1-4H3,(H,24,26)/t17-/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)=78.3453 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.521 g/mol  logS: -4.60835  SlogP: 4.45536  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0301826  Sterimol/B1: 2.14192  Sterimol/B2: 2.41945  Sterimol/B3: 4.92861
  Sterimol/B4: 8.73249  Sterimol/L: 21.8448 
 
 Surface and Volume Properties
  Accessible surface: 723.418  Positive charged surface: 522.423  Negative charged surface: 200.995  Volume: 394.125
  Hydrophobic surface: 602.823  Hydrophilic surface: 120.595
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.