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


ENAMINE-ZINC03461171

 MMsINC code: MMs01457190
Type: Neutral
Formula: C15H19N3O3
SMILES:   O=C1N(CC(=O)NCC)C(=O)NC1(C)c1ccc(cc1)C
InChI:   InChI=1/C15H19N3O3/c1-4-16-12(19)9-18-13(20)15(3,17-14(18)21)11-7-5-10(2)6-8-11/h5-8H,4,9H2,1-3H3,(H,16,19)(H,17,21)/t15-/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)=34.8503 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.335 g/mol  logS: -3.1033  SlogP: 1.20962  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0634612  Sterimol/B1: 3.14956  Sterimol/B2: 3.90422  Sterimol/B3: 4.15345
  Sterimol/B4: 5.04635  Sterimol/L: 17.5755 
 
 Surface and Volume Properties
  Accessible surface: 538.496  Positive charged surface: 346.687  Negative charged surface: 191.809  Volume: 275.625
  Hydrophobic surface: 368.013  Hydrophilic surface: 170.483
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.