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


CHEMDIV-ZINC06877552

 MMsINC code: MMs01052980
Type: Neutral
Formula: C25H29N3O3
SMILES:   O=C1N(CC(=O)N2C1CCCC2)Cc1ccc(cc1)C(=O)NCc1ccc(cc1)CC
InChI:   InChI=1/C25H29N3O3/c1-2-18-6-8-19(9-7-18)15-26-24(30)21-12-10-20(11-13-21)16-27-17-23(29)28-14-4-3-5-22(28)25(27)31/h6-13,22H,2-5,14-17H2,1H3,(H,26,30)/t22-/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)=107.325 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.525 g/mol  logS: -5.29776  SlogP: 3.43507  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0758691  Sterimol/B1: 3.42498  Sterimol/B2: 4.20663  Sterimol/B3: 4.89444
  Sterimol/B4: 6.20987  Sterimol/L: 20.7647 
 
 Surface and Volume Properties
  Accessible surface: 730.064  Positive charged surface: 489.666  Negative charged surface: 240.398  Volume: 414.75
  Hydrophobic surface: 586.881  Hydrophilic surface: 143.183
 
 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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.