MMsINC Database Search


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MMsINC code: MMs02618090

Type: Neutral
Formula: C₁₅H₁₆N₂O₃S

SMILES:

S(=O)(=O)(N)c1ccc(NC(=O)c2ccc(cc2C)C)cc1

InChI:

InChI=1/C15H16N2O3S/c1-10-3-8-14(11(2)9-10)15(18)17-12-4-6-13(7-5-12)21(16,19)20/h3-9H,1-2H3,(H,17,18)(H2,16,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.219 kcal/mol

Physical Properties
Molecular Weight: 304.37 g/mol	logS: -4.52932	SlogP: 2.20314	Reactive groups: 0

Topological Properties
Globularity: 0.0257745	Sterimol/B1: 2.71337	Sterimol/B2: 3.24328	Sterimol/B3: 3.49101
Sterimol/B4: 5.29431	Sterimol/L: 17.216

Surface and Volume Properties
Accessible surface: 532.944	Positive charged surface: 293.66	Negative charged surface: 239.283	Volume: 273.875
Hydrophobic surface: 375.91	Hydrophilic surface: 157.034

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

MMs02618091
PHARMEK-ZINC00558001