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MMsINC code: MMs02646811

Type: Neutral
Formula: C₁₄H₁₁NO₄

SMILES:

Oc1ccc(cc1NC(=O)c1ccccc1)C(O)=O

InChI:

InChI=1/C14H11NO4/c16-12-7-6-10(14(18)19)8-11(12)15-13(17)9-4-2-1-3-5-9/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)=70.9218 kcal/mol

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

Topological Properties
Globularity: 0.0186161	Sterimol/B1: 2.5255	Sterimol/B2: 2.64284	Sterimol/B3: 4.30009
Sterimol/B4: 5.0521	Sterimol/L: 14.8951

Surface and Volume Properties
Accessible surface: 468.19	Positive charged surface: 254.708	Negative charged surface: 213.482	Volume: 232
Hydrophobic surface: 292.701	Hydrophilic surface: 175.489

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

MMs02646812
PUBCHEM-ZINC00257927