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


NCID-ZINC01572628

 MMsINC code: MMs02232310
Type: Neutral
Formula: C30H34ClNO2
SMILES:   Clc1ccc(cc1)CC1CCc2c(ccc(OC)c2)C1c1ccc(OCCN2CCCC2)cc1
InChI:   InChI=1/C30H34ClNO2/c1-33-28-14-15-29-24(21-28)6-7-25(20-22-4-10-26(31)11-5-22)30(29)23-8-12-27(13-9-23)34-19-18-32-16-2-3-17-32/h4-5,8-15,21,25,30H,2-3,6-7,16-20H2,1H3/t25-,30+/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)=136.526 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 476.06 g/mol  logS: -8.20628  SlogP: 6.76014  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0863822  Sterimol/B1: 2.44789  Sterimol/B2: 4.07749  Sterimol/B3: 4.11473
  Sterimol/B4: 14.6981  Sterimol/L: 18.9083 
 
 Surface and Volume Properties
  Accessible surface: 798.773  Positive charged surface: 541.439  Negative charged surface: 257.334  Volume: 477.625
  Hydrophobic surface: 783.632  Hydrophilic surface: 15.141
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02232311
NCID-ZINC01572628