MMsINC Database Search


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

MMsINC code: MMs01452753

Type: Neutral
Formula: C₁₇H₂₆N₂O₂

SMILES:

O=C(N(CC(=O)NC(C)C)CC)Cc1cc(C)c(cc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.7082 kcal/mol

Physical Properties
Molecular Weight: 290.407 g/mol	logS: -3.58853	SlogP: 2.21901	Reactive groups: 0

Topological Properties
Globularity: 0.0770098	Sterimol/B1: 2.37656	Sterimol/B2: 3.77619	Sterimol/B3: 3.79776
Sterimol/B4: 8.57491	Sterimol/L: 16.1699

Surface and Volume Properties
Accessible surface: 589.637	Positive charged surface: 401.008	Negative charged surface: 188.629	Volume: 313.75
Hydrophobic surface: 468.109	Hydrophilic surface: 121.528

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.