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MMsINC code: MMs01241305

Type: Neutral
Formula: C₁₆H₁₃NO₄

SMILES:

O1c2cc(NC(=O)\C=C(/O)\c3ccccc3)ccc2OC1

InChI:

InChI=1/C16H13NO4/c18-13(11-4-2-1-3-5-11)9-16(19)17-12-6-7-14-15(8-12)21-10-20-14/h1-9,18H,10H2,(H,17,19)/b13-9-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.3527 kcal/mol

Physical Properties
Molecular Weight: 283.283 g/mol	logS: -3.48987	SlogP: 2.9529	Reactive groups: 0

Topological Properties
Globularity: 0.0137125	Sterimol/B1: 2.76422	Sterimol/B2: 2.92762	Sterimol/B3: 3.94596
Sterimol/B4: 4.25534	Sterimol/L: 17.2267

Surface and Volume Properties
Accessible surface: 514.022	Positive charged surface: 304.106	Negative charged surface: 209.916	Volume: 259.875
Hydrophobic surface: 391.141	Hydrophilic surface: 122.881

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs01241306 ENAMINE-ZINC01466003	MMs01241308 ENAMINE-ZINC01466003	MMs01241309 ENAMINE-ZINC01466003
MMs01241307 ENAMINE-ZINC01466003