MMsINC Database Search


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MMsINC code: MMs02241611

Type: Neutral
Formula: C₁₀H₁₁NO₄S

SMILES:

S1(=O)(=O)N(COCC)C(=O)c2c1cccc2

InChI:

InChI=1/C10H11NO4S/c1-2-15-7-11-10(12)8-5-3-4-6-9(8)16(11,13)14/h3-6H,2,7H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=11.1286 kcal/mol

Physical Properties
Molecular Weight: 241.267 g/mol	logS: -2.00182	SlogP: 0.8251	Reactive groups: 0

Topological Properties
Globularity: 0.120752	Sterimol/B1: 2.39394	Sterimol/B2: 3.40437	Sterimol/B3: 4.8411
Sterimol/B4: 5.56512	Sterimol/L: 12.8861

Surface and Volume Properties
Accessible surface: 421.925	Positive charged surface: 230.841	Negative charged surface: 191.085	Volume: 205.5
Hydrophobic surface: 278.453	Hydrophilic surface: 143.472

Pharmacophoric Properties
Hydrogen bond donors: 0	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.