MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01646196

Type: Neutral
Formula: C₁₇H₂₆N₂O₂

SMILES:

O=C(N(CC(=O)NC(C)C)CC)c1ccc(cc1)C(C)C

InChI:

InChI=1/C17H26N2O2/c1-6-19(11-16(20)18-13(4)5)17(21)15-9-7-14(8-10-15)12(2)3/h7-10,12-13H,6,11H2,1-5H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.151 kcal/mol

Physical Properties
Molecular Weight: 290.407 g/mol	logS: -4.08358	SlogP: 2.7967	Reactive groups: 0

Topological Properties
Globularity: 0.101233	Sterimol/B1: 2.14948	Sterimol/B2: 3.09204	Sterimol/B3: 3.99015
Sterimol/B4: 9.88609	Sterimol/L: 13.4822

Surface and Volume Properties
Accessible surface: 558.107	Positive charged surface: 382.401	Negative charged surface: 175.706	Volume: 310.625
Hydrophobic surface: 395.55	Hydrophilic surface: 162.557

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.