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MMsINC code: MMs00833692

Type: Neutral
Formula: C₁₁H₇NO₅

SMILES:

O=C1c2cc(ccc2NC=C1C(O)=O)C(O)=O

InChI:

InChI=1/C11H7NO5/c13-9-6-3-5(10(14)15)1-2-8(6)12-4-7(9)11(16)17/h1-4H,(H,12,13)(H,14,15)(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.6508 kcal/mol

Physical Properties
Molecular Weight: 233.179 g/mol	logS: -1.88249	SlogP: 0.9615	Reactive groups: 1

Topological Properties
Globularity: 8.66901e-08	Sterimol/B1: 2.097	Sterimol/B2: 2.09794	Sterimol/B3: 3.29507
Sterimol/B4: 5.13641	Sterimol/L: 13.5222

Surface and Volume Properties
Accessible surface: 392.643	Positive charged surface: 212.354	Negative charged surface: 180.289	Volume: 192.5
Hydrophobic surface: 151.435	Hydrophilic surface: 241.208

Pharmacophoric Properties
Hydrogen bond donors: 5	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

MMs00833693
CHEMDIV-ZINC00117358