MMsINC Database Search


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MMsINC code: MMs00904845

Type: Neutral
Formula: C₁₇H₁₄N₂O₅

SMILES:

OC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(=O)C)cc1

InChI:

InChI=1/C17H14N2O5/c1-10(20)18-14-5-3-2-4-13(14)15(21)16(22)19-12-8-6-11(7-9-12)17(23)24/h2-9H,1H3,(H,18,20)(H,19,22)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.91 kcal/mol

Physical Properties
Molecular Weight: 326.308 g/mol	logS: -3.86507	SlogP: 2.1646	Reactive groups: 0

Topological Properties
Globularity: 0.0175004	Sterimol/B1: 2.03124	Sterimol/B2: 2.52787	Sterimol/B3: 2.98708
Sterimol/B4: 8.26473	Sterimol/L: 17.8048

Surface and Volume Properties
Accessible surface: 557.945	Positive charged surface: 315.243	Negative charged surface: 242.702	Volume: 287.625
Hydrophobic surface: 356.505	Hydrophilic surface: 201.44

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs00904846
CHEMDIV-ZINC03028849