MMsINC Database Search


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MMsINC code: MMs02273775

Type: Neutral
Formula: C₁₂H₁₀N₂O₄S

SMILES:

S1(=O)(=O)C=2NC(=O)N(C)C(=O)C=2Cc2c1cccc2

InChI:

InChI=1/C12H10N2O4S/c1-14-11(15)8-6-7-4-2-3-5-9(7)19(17,18)10(8)13-12(14)16/h2-5H,6H2,1H3,(H,13,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.3127 kcal/mol

Physical Properties
Molecular Weight: 278.288 g/mol	logS: -2.79031	SlogP: 0.40957	Reactive groups: 0

Topological Properties
Globularity: 0.0405047	Sterimol/B1: 2.5488	Sterimol/B2: 3.24733	Sterimol/B3: 3.93203
Sterimol/B4: 5.50745	Sterimol/L: 13.508

Surface and Volume Properties
Accessible surface: 437.367	Positive charged surface: 239.578	Negative charged surface: 197.789	Volume: 223
Hydrophobic surface: 270.937	Hydrophilic surface: 166.43

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.