MMsINC Database Search


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MMsINC code: MMs02323828

Type: Neutral
Formula: C₈H₁₀N₂O₄S

SMILES:

S(O)(=O)(=O)Nc1ccc(NC(=O)C)cc1

InChI:

InChI=1/C8H10N2O4S/c1-6(11)9-7-2-4-8(5-3-7)10-15(12,13)14/h2-5,10H,1H3,(H,9,11)(H,12,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=7.61034 kcal/mol

Physical Properties
Molecular Weight: 230.244 g/mol	logS: -1.34169	SlogP: 0.294	Reactive groups: 0

Topological Properties
Globularity: 0.0277234	Sterimol/B1: 2.40491	Sterimol/B2: 3.46965	Sterimol/B3: 3.53537
Sterimol/B4: 4.23984	Sterimol/L: 14.1218

Surface and Volume Properties
Accessible surface: 407.095	Positive charged surface: 216.734	Negative charged surface: 190.362	Volume: 185
Hydrophobic surface: 211.228	Hydrophilic surface: 195.867

Pharmacophoric Properties
Hydrogen bond donors: 5	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

MMs02323829
NCID-ZINC01692003