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MMsINC code: MMs03826913

Type: Ionized
Formula: C₁₉H₁₅N₂O₄S-

SMILES:

S(=O)(=O)(Nc1ccc(cc1)Cc1ccncc1)c1cc(ccc1)C(=O)[O-]

InChI:

InChI=1/C19H16N2O4S/c22-19(23)16-2-1-3-18(13-16)26(24,25)21-17-6-4-14(5-7-17)12-15-8-10-20-11-9-15/h1-11,13,21H,12H2,(H,22,23)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.765 kcal/mol

Physical Properties
Molecular Weight: 367.405 g/mol	logS: -4.13481	SlogP: 1.83667	Reactive groups: 0

Topological Properties
Globularity: 0.128292	Sterimol/B1: 2.43194	Sterimol/B2: 4.79485	Sterimol/B3: 5.55797
Sterimol/B4: 5.96673	Sterimol/L: 15.2855

Surface and Volume Properties
Accessible surface: 576.683	Positive charged surface: 318.788	Negative charged surface: 257.896	Volume: 330.625
Hydrophobic surface: 391.692	Hydrophilic surface: 184.991

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 2	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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Parent related molecule:

MMs03826912
PUBCHEM-ZINC06623425