MMsINC Database Search


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MMsINC code: MMs00442814

Type: Neutral
Formula: C₁₃H₁₄N₂O₃S₂

SMILES:

s1cc(S(=O)(=O)N(Cc2ccccc2)C)cc1C(=O)N

InChI:

InChI=1/C13H14N2O3S2/c1-15(8-10-5-3-2-4-6-10)20(17,18)11-7-12(13(14)16)19-9-11/h2-7,9H,8H2,1H3,(H2,14,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.5777 kcal/mol

Physical Properties
Molecular Weight: 310.398 g/mol	logS: -3.12513	SlogP: 1.9341	Reactive groups: 0

Topological Properties
Globularity: 0.0783643	Sterimol/B1: 2.04505	Sterimol/B2: 3.11593	Sterimol/B3: 4.35248
Sterimol/B4: 6.6433	Sterimol/L: 15.633

Surface and Volume Properties
Accessible surface: 504.027	Positive charged surface: 265.379	Negative charged surface: 238.648	Volume: 266.5
Hydrophobic surface: 344.114	Hydrophilic surface: 159.913

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.