MMsINC Database Search


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

MMsINC code: MMs01174264

Type: Neutral
Formula: C₁₇H₂₆N₄O₄

SMILES:

O(CCN(CC(=O)NCC(=O)Nc1ccc(cc1)C)C(=O)N(C)C)C

InChI:

InChI=1/C17H26N4O4/c1-13-5-7-14(8-6-13)19-15(22)11-18-16(23)12-21(9-10-25-4)17(24)20(2)3/h5-8H,9-12H2,1-4H3,(H,18,23)(H,19,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=170.182 kcal/mol

Physical Properties
Molecular Weight: 350.419 g/mol	logS: -2.17791	SlogP: 0.67972	Reactive groups: 0

Topological Properties
Globularity: 0.0449705	Sterimol/B1: 2.57903	Sterimol/B2: 3.49087	Sterimol/B3: 4.68397
Sterimol/B4: 6.46834	Sterimol/L: 20.1038

Surface and Volume Properties
Accessible surface: 647.794	Positive charged surface: 506.009	Negative charged surface: 141.785	Volume: 343
Hydrophobic surface: 540.701	Hydrophilic surface: 107.093

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.