MMsINC Database Search


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MMsINC code: MMs00704754

Type: Neutral
Formula: C₁₅H₁₀N₂O₄

SMILES:

O=C1N(c2ccccc2)C(=O)Nc2c1ccc(c2)C(O)=O

InChI:

InChI=1/C15H10N2O4/c18-13-11-7-6-9(14(19)20)8-12(11)16-15(21)17(13)10-4-2-1-3-5-10/h1-8H,(H,16,21)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.5638 kcal/mol

Physical Properties
Molecular Weight: 282.255 g/mol	logS: -3.62517	SlogP: 2.5771	Reactive groups: 0

Topological Properties
Globularity: 0.0553618	Sterimol/B1: 3.62261	Sterimol/B2: 3.62283	Sterimol/B3: 3.78974
Sterimol/B4: 4.52392	Sterimol/L: 16.2529

Surface and Volume Properties
Accessible surface: 485.921	Positive charged surface: 260.888	Negative charged surface: 225.033	Volume: 246.375
Hydrophobic surface: 292.545	Hydrophilic surface: 193.376

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

MMs00704755
CHEMBRIDGE-ZINC02221604