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MMsINC code: MMs02732693

Type: Neutral
Formula: C₁₉H₁₅NO₆

SMILES:

O1c2cc(ccc2OC1)C=1N(c2c(cc(OC)cc2)C(=O)C=1C(O)=O)C

InChI:

InChI=1/C19H15NO6/c1-20-13-5-4-11(24-2)8-12(13)18(21)16(19(22)23)17(20)10-3-6-14-15(7-10)26-9-25-14/h3-8H,9H2,1-2H3,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.221 kcal/mol

Physical Properties
Molecular Weight: 353.33 g/mol	logS: -4.11622	SlogP: 2.5523	Reactive groups: 1

Topological Properties
Globularity: 0.0482834	Sterimol/B1: 2.08592	Sterimol/B2: 3.35018	Sterimol/B3: 3.7544
Sterimol/B4: 8.00946	Sterimol/L: 17.906

Surface and Volume Properties
Accessible surface: 549.705	Positive charged surface: 391.31	Negative charged surface: 158.395	Volume: 307.625
Hydrophobic surface: 379.16	Hydrophilic surface: 170.545

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 6	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

MMs02732694
PUBCHEM-ZINC00717516