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MMsINC code: MMs02176933

Type: Neutral
Formula: C₁₅H₁₁NO₆

SMILES:

OC(=O)c1ccc(cc1Nc1cc(ccc1)C(O)=O)C(O)=O

InChI:

InChI=1/C15H11NO6/c17-13(18)8-2-1-3-10(6-8)16-12-7-9(14(19)20)4-5-11(12)15(21)22/h1-7,16H,(H,17,18)(H,19,20)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.124 kcal/mol

Physical Properties
Molecular Weight: 301.254 g/mol	logS: -2.9134	SlogP: 2.5248	Reactive groups: 0

Topological Properties
Globularity: 0.104624	Sterimol/B1: 2.5277	Sterimol/B2: 4.94133	Sterimol/B3: 5.33404
Sterimol/B4: 5.58899	Sterimol/L: 15.5038

Surface and Volume Properties
Accessible surface: 499.399	Positive charged surface: 280.452	Negative charged surface: 218.947	Volume: 256.5
Hydrophobic surface: 213.627	Hydrophilic surface: 285.772

Pharmacophoric Properties
Hydrogen bond donors: 7	Hydrogen bond acceptors: 6	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

MMs02176934
MDPI-ZINC03843493