MMsINC Database Search


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MMsINC code: MMs00268870

Type: Neutral
Formula: C₂₀H₂₆N₂O₃

SMILES:

O=C1N(CCCCCCC(=O)N2CCCCC2)C(=O)c2c1cccc2

InChI:

InChI=1/C20H26N2O3/c23-18(21-13-7-3-8-14-21)12-4-1-2-9-15-22-19(24)16-10-5-6-11-17(16)20(22)25/h5-6,10-11H,1-4,7-9,12-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.051 kcal/mol

Physical Properties
Molecular Weight: 342.439 g/mol	logS: -3.75791	SlogP: 3.2456	Reactive groups: 0

Topological Properties
Globularity: 0.0346765	Sterimol/B1: 2.85432	Sterimol/B2: 3.72799	Sterimol/B3: 4.33429
Sterimol/B4: 5.47932	Sterimol/L: 20.8662

Surface and Volume Properties
Accessible surface: 644.847	Positive charged surface: 450.605	Negative charged surface: 194.242	Volume: 344.875
Hydrophobic surface: 538.563	Hydrophilic surface: 106.284

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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

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Ions/Tautomers related molecules: no related molecules available.