MMsINC Database Search


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MMsINC code: MMs00748289

Type: Neutral
Formula: C₂₀H₂₄N₂O₅

SMILES:

O(C)c1cc(ccc1OC)CCNC(=O)C(=O)NCCOc1ccccc1

InChI:

InChI=1/C20H24N2O5/c1-25-17-9-8-15(14-18(17)26-2)10-11-21-19(23)20(24)22-12-13-27-16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.325 kcal/mol

Physical Properties
Molecular Weight: 372.421 g/mol	logS: -3.71053	SlogP: 1.55767	Reactive groups: 0

Topological Properties
Globularity: 0.0552835	Sterimol/B1: 2.30561	Sterimol/B2: 4.67139	Sterimol/B3: 5.04146
Sterimol/B4: 6.55889	Sterimol/L: 21.7864

Surface and Volume Properties
Accessible surface: 710.599	Positive charged surface: 502.338	Negative charged surface: 208.262	Volume: 362.75
Hydrophobic surface: 582.795	Hydrophilic surface: 127.804

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.