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


NCID-ZINC06010251

 MMsINC code: MMs02517011
Type: Neutral
Formula: C18H25Cl2N3O
SMILES:   Clc1cc(NC(=O)N(C)C2CCCCC2N2CCCC2)ccc1Cl
InChI:   InChI=1/C18H25Cl2N3O/c1-22(18(24)21-13-8-9-14(19)15(20)12-13)16-6-2-3-7-17(16)23-10-4-5-11-23/h8-9,12,16-17H,2-7,10-11H2,1H3,(H,21,24)/t16-,17+/m1/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)=129.166 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.324 g/mol  logS: -4.19697  SlogP: 4.8641  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178985  Sterimol/B1: 2.16147  Sterimol/B2: 3.25562  Sterimol/B3: 4.7103
  Sterimol/B4: 8.59342  Sterimol/L: 15.1549 
 
 Surface and Volume Properties
  Accessible surface: 579.166  Positive charged surface: 365.464  Negative charged surface: 213.702  Volume: 341.875
  Hydrophobic surface: 565.491  Hydrophilic surface: 13.675
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02517012
NCID-ZINC06010251