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


CHEMDIV-ZINC03648917

 MMsINC code: MMs00913880
Type: Neutral
Formula: C24H30N2O
SMILES:   OC(CNc1cccc(C)c1C)Cn1c2CCCCc2c2cc(ccc12)C
InChI:   InChI=1/C24H30N2O/c1-16-11-12-24-21(13-16)20-8-4-5-10-23(20)26(24)15-19(27)14-25-22-9-6-7-17(2)18(22)3/h6-7,9,11-13,19,25,27H,4-5,8,10,14-15H2,1-3H3/t19-/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)=91.7684 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.517 g/mol  logS: -5.15417  SlogP: 5.1847  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0831569  Sterimol/B1: 2.41134  Sterimol/B2: 3.58082  Sterimol/B3: 5.13337
  Sterimol/B4: 10.0026  Sterimol/L: 17.7199 
 
 Surface and Volume Properties
  Accessible surface: 673.496  Positive charged surface: 454.632  Negative charged surface: 213.236  Volume: 384.25
  Hydrophobic surface: 637.456  Hydrophilic surface: 36.04
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.