MMsINC Database Search


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MMsINC code: MMs00059904

Type: Neutral
Formula: C₁₅H₁₆N₂O₃S

SMILES:

S(=O)(=O)(N(C)c1ccccc1)c1ccc(NC(=O)C)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.812 kcal/mol

Physical Properties
Molecular Weight: 304.37 g/mol	logS: -3.33175	SlogP: 2.4701	Reactive groups: 0

Topological Properties
Globularity: 0.0981313	Sterimol/B1: 3.63847	Sterimol/B2: 3.94268	Sterimol/B3: 4.32014
Sterimol/B4: 5.91725	Sterimol/L: 14.6139

Surface and Volume Properties
Accessible surface: 521.179	Positive charged surface: 308.461	Negative charged surface: 212.718	Volume: 280
Hydrophobic surface: 419.924	Hydrophilic surface: 101.255

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.