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MMsINC code: MMs03122925

Type: Neutral
Formula: C₁₅H₁₆N₂O₃S₂

SMILES:

s1cccc1\C=C/C(=O)NCCc1ccc(S(=O)(=O)N)cc1

InChI:

InChI=1/C15H16N2O3S2/c16-22(19,20)14-6-3-12(4-7-14)9-10-17-15(18)8-5-13-2-1-11-21-13/h1-8,11H,9-10H2,(H,17,18)(H2,16,19,20)/b8-5-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.2599 kcal/mol

Physical Properties
Molecular Weight: 336.436 g/mol	logS: -3.89948	SlogP: 1.76757	Reactive groups: 0

Topological Properties
Globularity: 0.050038	Sterimol/B1: 2.76918	Sterimol/B2: 3.23779	Sterimol/B3: 4.10735
Sterimol/B4: 6.70439	Sterimol/L: 17.4148

Surface and Volume Properties
Accessible surface: 579.802	Positive charged surface: 304.859	Negative charged surface: 274.943	Volume: 293.75
Hydrophobic surface: 415.059	Hydrophilic surface: 164.743

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

MMs03122926
PUBCHEM-ZINC04465325