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MMsINC code: MMs02251943

Type: Neutral
Formula: C₁₅H₁₃NO₄

SMILES:

O(C)c1cc(ccc1O)\C=N\c1ccccc1C(O)=O

InChI:

InChI=1/C15H13NO4/c1-20-14-8-10(6-7-13(14)17)9-16-12-5-3-2-4-11(12)15(18)19/h2-9,17H,1H3,(H,18,19)/b16-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.5499 kcal/mol

Physical Properties
Molecular Weight: 271.272 g/mol	logS: -2.96745	SlogP: 2.8496	Reactive groups: 0

Topological Properties
Globularity: 0.0594447	Sterimol/B1: 2.37382	Sterimol/B2: 2.51519	Sterimol/B3: 4.03256
Sterimol/B4: 6.6233	Sterimol/L: 14.294

Surface and Volume Properties
Accessible surface: 503.791	Positive charged surface: 331.533	Negative charged surface: 172.257	Volume: 253.125
Hydrophobic surface: 347.523	Hydrophilic surface: 156.268

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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

MMs02251944
NCID-ZINC01598374