MMsINC Database Search


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MMsINC code: MMs02670088

Type: Neutral
Formula: C₉H₁₄N₂O₄S₂

SMILES:

S(=O)(=O)(NC)c1cc(S(=O)(=O)NC)ccc1C

InChI:

InChI=1/C9H14N2O4S2/c1-7-4-5-8(16(12,13)10-2)6-9(7)17(14,15)11-3/h4-6,10-11H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-0.702868 kcal/mol

Physical Properties
Molecular Weight: 278.353 g/mol	logS: -1.22131	SlogP: -0.18878	Reactive groups: 0

Topological Properties
Globularity: 0.174011	Sterimol/B1: 2.88068	Sterimol/B2: 3.40036	Sterimol/B3: 4.81804
Sterimol/B4: 6.07943	Sterimol/L: 11.7635

Surface and Volume Properties
Accessible surface: 448.853	Positive charged surface: 273.747	Negative charged surface: 175.106	Volume: 226.625
Hydrophobic surface: 280.009	Hydrophilic surface: 168.844

Pharmacophoric Properties
Hydrogen bond donors: 2	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.