MMsINC Database Search


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MMsINC code: MMs00780365

Type: Neutral
Formula: C₁₆H₁₀N₂O₆

SMILES:

Oc1ccc(cc1)C(=O)NN1C(=O)c2c(ccc(c2)C(O)=O)C1=O

InChI:

InChI=1/C16H10N2O6/c19-10-4-1-8(2-5-10)13(20)17-18-14(21)11-6-3-9(16(23)24)7-12(11)15(18)22/h1-7,19H,(H,17,20)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.4803 kcal/mol

Physical Properties
Molecular Weight: 326.264 g/mol	logS: -3.59457	SlogP: 1.0314	Reactive groups: 0

Topological Properties
Globularity: 0.037529	Sterimol/B1: 2.29052	Sterimol/B2: 3.24782	Sterimol/B3: 4.35506
Sterimol/B4: 4.72484	Sterimol/L: 18.7158

Surface and Volume Properties
Accessible surface: 540.304	Positive charged surface: 271.762	Negative charged surface: 268.543	Volume: 272.75
Hydrophobic surface: 267.363	Hydrophilic surface: 272.941

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs00780366
CHEMBRIDGE-ZINC04725144