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MMsINC code: MMs03115975

Type: Neutral
Formula: C₁₇H₁₂N₂O₄

SMILES:

O=C/1N(c2ccccc2)C(=O)N\C\1=C\c1ccc(cc1)C(O)=O

InChI:

InChI=1/C17H12N2O4/c20-15-14(10-11-6-8-12(9-7-11)16(21)22)18-17(23)19(15)13-4-2-1-3-5-13/h1-10H,(H,18,23)(H,21,22)/b14-10-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.703 kcal/mol

Physical Properties
Molecular Weight: 308.293 g/mol	logS: -4.16702	SlogP: 2.4821	Reactive groups: 0

Topological Properties
Globularity: 0.00703583	Sterimol/B1: 2.45348	Sterimol/B2: 2.56543	Sterimol/B3: 3.7514
Sterimol/B4: 4.31198	Sterimol/L: 18.4067

Surface and Volume Properties
Accessible surface: 515.186	Positive charged surface: 268.57	Negative charged surface: 246.617	Volume: 273.25
Hydrophobic surface: 330.863	Hydrophilic surface: 184.323

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs03115978
PUBCHEM-ZINC04351204