MMsINC Database Search


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MMsINC code: MMs00520200

Type: Neutral
Formula: C₁₀H₁₀N₂O₄S

SMILES:

S1(=O)(=O)N(CC(=O)NC)C(=O)c2c1cccc2

InChI:

InChI=1/C10H10N2O4S/c1-11-9(13)6-12-10(14)7-4-2-3-5-8(7)17(12,15)16/h2-5H,6H2,1H3,(H,11,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.1659 kcal/mol

Physical Properties
Molecular Weight: 254.266 g/mol	logS: -1.99904	SlogP: -0.4229	Reactive groups: 0

Topological Properties
Globularity: 0.0817688	Sterimol/B1: 2.30604	Sterimol/B2: 3.60581	Sterimol/B3: 4.46455
Sterimol/B4: 4.70541	Sterimol/L: 14.1807

Surface and Volume Properties
Accessible surface: 434.247	Positive charged surface: 252.505	Negative charged surface: 181.741	Volume: 207.375
Hydrophobic surface: 280.486	Hydrophilic surface: 153.761

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.