MMsINC Database Search


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MMsINC code: MMs02351464

Type: Neutral
Formula: C₁₅H₁₆N₂O₃S₂

SMILES:

S(C)c1ccccc1C(=O)NNS(=O)(=O)c1ccc(cc1)C

InChI:

InChI=1/C15H16N2O3S2/c1-11-7-9-12(10-8-11)22(19,20)17-16-15(18)13-5-3-4-6-14(13)21-2/h3-10,17H,1-2H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.653 kcal/mol

Physical Properties
Molecular Weight: 336.436 g/mol	logS: -5.05321	SlogP: 2.34022	Reactive groups: 0

Topological Properties
Globularity: 0.0343352	Sterimol/B1: 2.69975	Sterimol/B2: 3.16079	Sterimol/B3: 3.91914
Sterimol/B4: 7.39101	Sterimol/L: 16.555

Surface and Volume Properties
Accessible surface: 565.846	Positive charged surface: 282.501	Negative charged surface: 283.345	Volume: 293.75
Hydrophobic surface: 415.287	Hydrophilic surface: 150.559

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.