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MMsINC code: MMs03469506

Type: Ionized
Formula: C₁₀H₆NO₅-

SMILES:

Oc1c2NC(=CC(=O)c2ccc1O)C(=O)[O-]

InChI:

InChI=1/C10H7NO5/c12-6-2-1-4-7(13)3-5(10(15)16)11-8(4)9(6)14/h1-3,12,14H,(H,11,13)(H,15,16)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.3839 kcal/mol

Physical Properties
Molecular Weight: 220.16 g/mol	logS: -1.73885	SlogP: -0.6602	Reactive groups: 1

Topological Properties
Globularity: 1.27976e-08	Sterimol/B1: 2.09708	Sterimol/B2: 2.09754	Sterimol/B3: 3.11871
Sterimol/B4: 5.93578	Sterimol/L: 12.0093

Surface and Volume Properties
Accessible surface: 371.926	Positive charged surface: 173.184	Negative charged surface: 198.742	Volume: 178
Hydrophobic surface: 151.098	Hydrophilic surface: 220.828

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 2	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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Parent related molecule:

MMs03469505
PUBCHEM-ZINC05973966