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MMsINC code: MMs02333168

Type: Neutral
Formula: C₁₄H₁₁NO₄

SMILES:

OC(=O)c1ccccc1Nc1cc(ccc1)C(O)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.6668 kcal/mol

Physical Properties
Molecular Weight: 257.245 g/mol	logS: -2.944	SlogP: 2.8266	Reactive groups: 0

Topological Properties
Globularity: 0.135445	Sterimol/B1: 3.63688	Sterimol/B2: 3.89971	Sterimol/B3: 4.05899
Sterimol/B4: 5.71512	Sterimol/L: 14.4253

Surface and Volume Properties
Accessible surface: 460.396	Positive charged surface: 266.011	Negative charged surface: 194.385	Volume: 231
Hydrophobic surface: 269.533	Hydrophilic surface: 190.863

Pharmacophoric Properties
Hydrogen bond donors: 5	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

MMs02333169
NCID-ZINC01704343