MMsINC Database Search


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MMsINC code: MMs01834189

Type: Neutral
Formula: C₁₅H₁₄N₂O₃S₂

SMILES:

S(CCNS(=O)(=O)c1ccccc1)c1oc2c(n1)cccc2

InChI:

InChI=1/C15H14N2O3S2/c18-22(19,12-6-2-1-3-7-12)16-10-11-21-15-17-13-8-4-5-9-14(13)20-15/h1-9,16H,10-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.2723 kcal/mol

Physical Properties
Molecular Weight: 334.42 g/mol	logS: -5.27035	SlogP: 2.8984	Reactive groups: 0

Topological Properties
Globularity: 0.0451218	Sterimol/B1: 2.81016	Sterimol/B2: 2.96741	Sterimol/B3: 5.54493
Sterimol/B4: 5.84108	Sterimol/L: 17.9785

Surface and Volume Properties
Accessible surface: 574.41	Positive charged surface: 289.038	Negative charged surface: 285.372	Volume: 290.25
Hydrophobic surface: 408.244	Hydrophilic surface: 166.166

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.