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


NANOSIN-ZINC04754157

 MMsINC code: MMs02212203
Type: Neutral
Formula: C24H27NO3
SMILES:   Oc1ccc2c(cccc2)c1\C=N\C(C(OC)=O)C12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C24H27NO3/c1-28-23(27)22(24-11-15-8-16(12-24)10-17(9-15)13-24)25-14-20-19-5-3-2-4-18(19)6-7-21(20)26/h2-7,14-17,22,26H,8-13H2,1H3/b25-14+/t15-,16+,17-,22-,24-/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)=128.678 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.484 g/mol  logS: -7.12758  SlogP: 4.7223  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.172797  Sterimol/B1: 2.2363  Sterimol/B2: 4.78751  Sterimol/B3: 5.08784
  Sterimol/B4: 9.06831  Sterimol/L: 15.6711 
 
 Surface and Volume Properties
  Accessible surface: 614.305  Positive charged surface: 438.391  Negative charged surface: 165.337  Volume: 372.125
  Hydrophobic surface: 557.16  Hydrophilic surface: 57.145
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.