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MMsINC code: MMs00628350

Type: Neutral
Formula: C₁₄H₁₁NO₄

SMILES:

Oc1ccc(cc1)C(=O)Nc1cc(ccc1)C(O)=O

InChI:

InChI=1/C14H11NO4/c16-12-6-4-9(5-7-12)13(17)15-11-3-1-2-10(8-11)14(18)19/h1-8,16H,(H,15,17)(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.7592 kcal/mol

Physical Properties
Molecular Weight: 257.245 g/mol	logS: -2.96232	SlogP: 2.3427	Reactive groups: 0

Topological Properties
Globularity: 0.0171749	Sterimol/B1: 2.19385	Sterimol/B2: 2.43862	Sterimol/B3: 3.11049
Sterimol/B4: 6.3601	Sterimol/L: 15.4004

Surface and Volume Properties
Accessible surface: 468.995	Positive charged surface: 256.761	Negative charged surface: 212.234	Volume: 232.625
Hydrophobic surface: 284.563	Hydrophilic surface: 184.432

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs00628351
CHEMBRIDGE-ZINC00474218