MMsINC Database Search


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MMsINC code: MMs01387469

Type: Neutral
Formula: C₁₈H₁₆N₂O₄S₂

SMILES:

s1cccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1cc(OC)ccc1

InChI:

InChI=1/C18H16N2O4S2/c1-24-14-7-4-6-13(12-14)19-18(21)15-8-2-3-9-16(15)20-26(22,23)17-10-5-11-25-17/h2-12,20H,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.8385 kcal/mol

Physical Properties
Molecular Weight: 388.468 g/mol	logS: -5.0321	SlogP: 3.8098	Reactive groups: 0

Topological Properties
Globularity: 0.103516	Sterimol/B1: 3.39727	Sterimol/B2: 4.36646	Sterimol/B3: 4.67805
Sterimol/B4: 7.7361	Sterimol/L: 14.1354

Surface and Volume Properties
Accessible surface: 601.265	Positive charged surface: 320.365	Negative charged surface: 280.899	Volume: 334.625
Hydrophobic surface: 491.047	Hydrophilic surface: 110.218

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.