MMsINC Database Search


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MMsINC code: MMs02329985

Type: Ionized
Formula: C₁₀H₇O₄S-

SMILES:

S(=O)(=O)([O-])c1c2cc(O)ccc2ccc1

InChI:

InChI=1/C10H8O4S/c11-8-5-4-7-2-1-3-10(9(7)6-8)15(12,13)14/h1-6,11H,(H,12,13,14)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.4407 kcal/mol

Physical Properties
Molecular Weight: 223.228 g/mol	logS: -3.0224	SlogP: 1.4495	Reactive groups: 0

Topological Properties
Globularity: 0.0285165	Sterimol/B1: 2.89057	Sterimol/B2: 3.04717	Sterimol/B3: 3.04787
Sterimol/B4: 6.3891	Sterimol/L: 10.4513

Surface and Volume Properties
Accessible surface: 370.241	Positive charged surface: 140.772	Negative charged surface: 219.701	Volume: 182.25
Hydrophobic surface: 216.859	Hydrophilic surface: 153.382

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 3	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

search links for this molecule:

Parent related molecule:

MMs02329984
NCID-ZINC01700211