MMsINC Database Search


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MMsINC code: MMs00910553

Type: Neutral
Formula: C₁₈H₁₆N₂O₄S₂

SMILES:

s1cccc1S(=O)(=O)Nc1ccc(cc1)C(=O)Nc1ccc(OC)cc1

InChI:

InChI=1/C18H16N2O4S2/c1-24-16-10-8-14(9-11-16)19-18(21)13-4-6-15(7-5-13)20-26(22,23)17-3-2-12-25-17/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)=93.039 kcal/mol

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

Topological Properties
Globularity: 0.0631546	Sterimol/B1: 3.50637	Sterimol/B2: 4.06091	Sterimol/B3: 4.78102
Sterimol/B4: 5.0548	Sterimol/L: 19.1582

Surface and Volume Properties
Accessible surface: 619.212	Positive charged surface: 324.348	Negative charged surface: 294.865	Volume: 334.875
Hydrophobic surface: 487.337	Hydrophilic surface: 131.875

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.