MMsINC Database Search


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MMsINC code: MMs00104304

Type: Neutral
Formula: C₁₀H₁₀N₂O₂S₂

SMILES:

s1cccc1S(=O)(=O)Nc1nccc(c1)C

InChI:

InChI=1/C10H10N2O2S2/c1-8-4-5-11-9(7-8)12-16(13,14)10-3-2-6-15-10/h2-7H,1H3,(H,11,12)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=19.4104 kcal/mol

Physical Properties
Molecular Weight: 254.334 g/mol	logS: -2.53877	SlogP: 2.25232	Reactive groups: 0

Topological Properties
Globularity: 0.126998	Sterimol/B1: 2.49357	Sterimol/B2: 4.28461	Sterimol/B3: 4.67675
Sterimol/B4: 5.15672	Sterimol/L: 12.5315

Surface and Volume Properties
Accessible surface: 432.569	Positive charged surface: 220.055	Negative charged surface: 212.515	Volume: 214.5
Hydrophobic surface: 338.957	Hydrophilic surface: 93.612

Pharmacophoric Properties
Hydrogen bond donors: 1	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.