MMsINC Database Search


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MMsINC code: MMs00445032

Type: Neutral
Formula: C₉H₁₄N₂O₃S₂

SMILES:

s1cc(S(=O)(=O)NC(C)C)cc1C(=O)NC

InChI:

InChI=1/C9H14N2O3S2/c1-6(2)11-16(13,14)7-4-8(15-5-7)9(12)10-3/h4-6,11H,1-3H3,(H,10,12)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-0.337302 kcal/mol

Physical Properties
Molecular Weight: 262.354 g/mol	logS: -1.83008	SlogP: 0.7944	Reactive groups: 0

Topological Properties
Globularity: 0.0908668	Sterimol/B1: 3.54012	Sterimol/B2: 3.99141	Sterimol/B3: 4.1437
Sterimol/B4: 4.29873	Sterimol/L: 14.3733

Surface and Volume Properties
Accessible surface: 457.086	Positive charged surface: 261.598	Negative charged surface: 195.488	Volume: 225.375
Hydrophobic surface: 284.469	Hydrophilic surface: 172.617

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.