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MMsINC code: MMs00489833

Type: Neutral
Formula: C₁₉H₁₅NO₅

SMILES:

O1c2cc(ccc2OC1)C1NC(=O)C(=O)C1C(=O)c1ccc(cc1)C

InChI:

InChI=1/C19H15NO5/c1-10-2-4-11(5-3-10)17(21)15-16(20-19(23)18(15)22)12-6-7-13-14(8-12)25-9-24-13/h2-8,15-16H,9H2,1H3,(H,20,23)/t15-,16+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.2969 kcal/mol

Physical Properties
Molecular Weight: 337.331 g/mol	logS: -4.29595	SlogP: 2.05832	Reactive groups: 0

Topological Properties
Globularity: 0.11461	Sterimol/B1: 3.03343	Sterimol/B2: 3.69482	Sterimol/B3: 4.60914
Sterimol/B4: 8.23558	Sterimol/L: 15.052

Surface and Volume Properties
Accessible surface: 564.4	Positive charged surface: 312.927	Negative charged surface: 251.472	Volume: 301.25
Hydrophobic surface: 370.426	Hydrophilic surface: 193.974

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs00489836 CHEMBLOCK-ZINC00052578	MMs00489837 CHEMBLOCK-ZINC00052578	MMs00489834 CHEMBLOCK-ZINC00052578
MMs00489835 CHEMBLOCK-ZINC00052578