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MMsINC code: MMs02183248

Type: Neutral
Formula: C₁₄H₁₃NO₅

SMILES:

O1C2C=CC1C(C(O)=O)C2C(=O)Nc1ccccc1O

InChI:

InChI=1/C14H13NO5/c16-8-4-2-1-3-7(8)15-13(17)11-9-5-6-10(20-9)12(11)14(18)19/h1-6,9-12,16H,(H,15,17)(H,18,19)/t9-,10+,11-,12+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.879 kcal/mol

Physical Properties
Molecular Weight: 275.26 g/mol	logS: -1.67996	SlogP: 0.9849	Reactive groups: 0

Topological Properties
Globularity: 0.10879	Sterimol/B1: 2.38853	Sterimol/B2: 3.26664	Sterimol/B3: 4.08158
Sterimol/B4: 5.877	Sterimol/L: 14.1131

Surface and Volume Properties
Accessible surface: 456.364	Positive charged surface: 275.056	Negative charged surface: 181.307	Volume: 241.875
Hydrophobic surface: 264.378	Hydrophilic surface: 191.986

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 4

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

MMs02183249
MDPI-ZINC03851306