MMsINC Database Search


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MMsINC code: MMs02650166

Type: Neutral
Formula: C₁₄H₁₄N₂O₃S

SMILES:

S(=O)(=O)(N)c1cc(ccc1C)C(=O)Nc1ccccc1

InChI:

InChI=1/C14H14N2O3S/c1-10-7-8-11(9-13(10)20(15,18)19)14(17)16-12-5-3-2-4-6-12/h2-9H,1H3,(H,16,17)(H2,15,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.29 kcal/mol

Physical Properties
Molecular Weight: 290.343 g/mol	logS: -3.74195	SlogP: 1.89472	Reactive groups: 0

Topological Properties
Globularity: 0.0334927	Sterimol/B1: 2.66994	Sterimol/B2: 3.06976	Sterimol/B3: 3.68824
Sterimol/B4: 6.0437	Sterimol/L: 15.5887

Surface and Volume Properties
Accessible surface: 504.644	Positive charged surface: 259.084	Negative charged surface: 245.56	Volume: 256.375
Hydrophobic surface: 344.444	Hydrophilic surface: 160.2

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

MMs02650167
PUBCHEM-ZINC00282498