MMsINC Database Search


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MMsINC code: MMs02521874

Type: Neutral
Formula: C₁₄H₁₄N₂O₃S

SMILES:

S(=O)(=O)(N(C)c1ccccc1C(=O)N)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.3346 kcal/mol

Physical Properties
Molecular Weight: 290.343 g/mol	logS: -3.37442	SlogP: 1.6106	Reactive groups: 0

Topological Properties
Globularity: 0.128939	Sterimol/B1: 2.11849	Sterimol/B2: 2.77808	Sterimol/B3: 5.46497
Sterimol/B4: 6.62727	Sterimol/L: 13.1648

Surface and Volume Properties
Accessible surface: 478.818	Positive charged surface: 273.884	Negative charged surface: 204.933	Volume: 259.5
Hydrophobic surface: 354.099	Hydrophilic surface: 124.719

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.