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MMsINC code: MMs02679149

Type: Neutral
Formula: C₁₅H₁₄N₂O₃S

SMILES:

S(CC(=O)Nc1ccccc1C)c1ncccc1C(O)=O

InChI:

InChI=1/C15H14N2O3S/c1-10-5-2-3-7-12(10)17-13(18)9-21-14-11(15(19)20)6-4-8-16-14/h2-8H,9H2,1H3,(H,17,18)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.6083 kcal/mol

Physical Properties
Molecular Weight: 302.354 g/mol	logS: -3.5857	SlogP: 2.81902	Reactive groups: 0

Topological Properties
Globularity: 0.0142717	Sterimol/B1: 2.19469	Sterimol/B2: 2.60246	Sterimol/B3: 3.16801
Sterimol/B4: 6.83422	Sterimol/L: 16.2914

Surface and Volume Properties
Accessible surface: 537.661	Positive charged surface: 332.986	Negative charged surface: 204.675	Volume: 274.875
Hydrophobic surface: 384.888	Hydrophilic surface: 152.773

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

MMs02679150
PUBCHEM-ZINC00415165