MMsINC Database Search


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MMsINC code: MMs01763065

Type: Neutral
Formula: C₁₉H₁₇NO₅

SMILES:

O1C(=NC(=CC1=O)c1ccc(OC)cc1)c1cc(OC)c(OC)cc1

InChI:

InChI=1/C19H17NO5/c1-22-14-7-4-12(5-8-14)15-11-18(21)25-19(20-15)13-6-9-16(23-2)17(10-13)24-3/h4-11H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.077 kcal/mol

Physical Properties
Molecular Weight: 339.347 g/mol	logS: -5.20815	SlogP: 3.0569	Reactive groups: 0

Topological Properties
Globularity: 0.00545238	Sterimol/B1: 2.37542	Sterimol/B2: 2.37732	Sterimol/B3: 4.23722
Sterimol/B4: 7.10778	Sterimol/L: 18.0188

Surface and Volume Properties
Accessible surface: 600.6	Positive charged surface: 408.127	Negative charged surface: 192.473	Volume: 315.5
Hydrophobic surface: 498.29	Hydrophilic surface: 102.31

Pharmacophoric Properties
Hydrogen bond donors: 0	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.