MMsINC Database Search


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MMsINC code: MMs00571049

Type: Neutral
Formula: C₂₀H₁₅NO₅

SMILES:

o1cccc1C(=O)Nc1cc2OCCOc2cc1C(=O)c1ccccc1

InChI:

InChI=1/C20H15NO5/c22-19(13-5-2-1-3-6-13)14-11-17-18(26-10-9-25-17)12-15(14)21-20(23)16-7-4-8-24-16/h1-8,11-12H,9-10H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.841 kcal/mol

Physical Properties
Molecular Weight: 349.342 g/mol	logS: -5.42885	SlogP: 3.5341	Reactive groups: 0

Topological Properties
Globularity: 0.113485	Sterimol/B1: 2.44406	Sterimol/B2: 2.97121	Sterimol/B3: 5.67471
Sterimol/B4: 9.15388	Sterimol/L: 14.8669

Surface and Volume Properties
Accessible surface: 585.971	Positive charged surface: 339.68	Negative charged surface: 246.291	Volume: 317
Hydrophobic surface: 497.215	Hydrophilic surface: 88.756

Pharmacophoric Properties
Hydrogen bond donors: 1	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.