MMsINC Database Search


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MMsINC code: MMs02213715

Type: Neutral
Formula: C₁₄H₁₁NO₄

SMILES:

Oc1ccc(NC(=O)c2ccccc2C(O)=O)cc1

InChI:

InChI=1/C14H11NO4/c16-10-7-5-9(6-8-10)15-13(17)11-3-1-2-4-12(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)=72.0064 kcal/mol

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

Topological Properties
Globularity: 0.0771086	Sterimol/B1: 2.51873	Sterimol/B2: 3.50186	Sterimol/B3: 4.01671
Sterimol/B4: 7.26693	Sterimol/L: 14.7777

Surface and Volume Properties
Accessible surface: 465.236	Positive charged surface: 266.179	Negative charged surface: 199.057	Volume: 232.625
Hydrophobic surface: 302.142	Hydrophilic surface: 163.094

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

MMs02213716
NCID-ZINC00190741