MMsINC Database Search


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MMsINC code: MMs00573168

Type: Neutral
Formula: C₁₄H₁₄N₂O₃S₂

SMILES:

S(CC(=O)N)c1ccc(S(=O)(=O)Nc2ccccc2)cc1

InChI:

InChI=1/C14H14N2O3S2/c15-14(17)10-20-12-6-8-13(9-7-12)21(18,19)16-11-4-2-1-3-5-11/h1-9,16H,10H2,(H2,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.3942 kcal/mol

Physical Properties
Molecular Weight: 322.409 g/mol	logS: -4.34668	SlogP: 2.0648	Reactive groups: 0

Topological Properties
Globularity: 0.111586	Sterimol/B1: 2.484	Sterimol/B2: 3.93733	Sterimol/B3: 4.24638
Sterimol/B4: 7.72218	Sterimol/L: 15.344

Surface and Volume Properties
Accessible surface: 535.532	Positive charged surface: 280.074	Negative charged surface: 255.458	Volume: 278.625
Hydrophobic surface: 308.986	Hydrophilic surface: 226.546

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: no related molecules available.