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


NCID-ZINC04934828

 MMsINC code: MMs02417410
Type: Neutral
Formula: C24H30ClNO
SMILES:   Clc1ccc(cc1)C(O)(Cc1ccccc1)CCN1CC2CC(CC2)CC1
InChI:   InChI=1/C24H30ClNO/c25-23-10-8-22(9-11-23)24(27,17-20-4-2-1-3-5-20)13-15-26-14-12-19-6-7-21(16-19)18-26/h1-5,8-11,19,21,27H,6-7,12-18H2/t19-,21-,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)=162.022 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.963 g/mol  logS: -5.39009  SlogP: 5.59387  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0913541  Sterimol/B1: 3.54995  Sterimol/B2: 3.87674  Sterimol/B3: 4.12429
  Sterimol/B4: 8.03892  Sterimol/L: 17.1502 
 
 Surface and Volume Properties
  Accessible surface: 629.646  Positive charged surface: 406.256  Negative charged surface: 223.39  Volume: 387.125
  Hydrophobic surface: 605.102  Hydrophilic surface: 24.544
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02417411
NCID-ZINC04934828