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MMsINC code: MMs03082132

Type: Neutral
Formula: C₂₁H₁₄N₂O₄

SMILES:

O=C1c2c(cccc2Nc2ccccc2C(O)=O)C(=O)c2c1c(N)ccc2

InChI:

InChI=1/C21H14N2O4/c22-14-8-3-6-12-17(14)20(25)18-13(19(12)24)7-4-10-16(18)23-15-9-2-1-5-11(15)21(26)27/h1-10,23H,22H2,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.848 kcal/mol

Physical Properties
Molecular Weight: 358.353 g/mol	logS: -5.1956	SlogP: 3.486	Reactive groups: 0

Topological Properties
Globularity: 0.0470922	Sterimol/B1: 2.2185	Sterimol/B2: 4.35121	Sterimol/B3: 5.51842
Sterimol/B4: 5.77369	Sterimol/L: 15.7883

Surface and Volume Properties
Accessible surface: 552.666	Positive charged surface: 316.321	Negative charged surface: 236.344	Volume: 319.625
Hydrophobic surface: 369.685	Hydrophilic surface: 182.981

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs03082133
PUBCHEM-ZINC03873987