MMsINC Database Search


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MMsINC code: MMs02291247

Type: Neutral
Formula: C₁₄H₁₄N₂O₃S

SMILES:

S(=O)(=O)(N)c1ccc(NC(=O)c2ccccc2)cc1C

InChI:

InChI=1/C14H14N2O3S/c1-10-9-12(7-8-13(10)20(15,18)19)16-14(17)11-5-3-2-4-6-11/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)=52.8984 kcal/mol

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

Topological Properties
Globularity: 0.0317177	Sterimol/B1: 2.18715	Sterimol/B2: 2.92791	Sterimol/B3: 3.19602
Sterimol/B4: 5.88832	Sterimol/L: 16.1307

Surface and Volume Properties
Accessible surface: 500.428	Positive charged surface: 256.6	Negative charged surface: 243.828	Volume: 258
Hydrophobic surface: 344	Hydrophilic surface: 156.428

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

MMs02291248
NCID-ZINC01651963