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MMsINC code: MMs00703126

Type: Neutral
Formula: C₂₀H₂₄N₂O₄

SMILES:

O(C)c1ccccc1C(=O)NCCCCNC(=O)c1ccccc1OC

InChI:

InChI=1/C20H24N2O4/c1-25-17-11-5-3-9-15(17)19(23)21-13-7-8-14-22-20(24)16-10-4-6-12-18(16)26-2/h3-6,9-12H,7-8,13-14H2,1-2H3,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.0298 kcal/mol

Physical Properties
Molecular Weight: 356.422 g/mol	logS: -3.97578	SlogP: 2.6438	Reactive groups: 0

Topological Properties
Globularity: 0.00533126	Sterimol/B1: 2.3792	Sterimol/B2: 2.38144	Sterimol/B3: 2.78004
Sterimol/B4: 7.29661	Sterimol/L: 20.7617

Surface and Volume Properties
Accessible surface: 677.607	Positive charged surface: 492.734	Negative charged surface: 184.874	Volume: 352.75
Hydrophobic surface: 594.117	Hydrophilic surface: 83.49

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

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Ions/Tautomers related molecules: no related molecules available.