MMsINC Database Search


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MMsINC code: MMs00164255

Type: Neutral
Formula: C₁₉H₁₇NO₄S₂

SMILES:

S(=O)(=O)(c1cc(S(=O)(=O)Nc2ccc(cc2)C)ccc1)c1ccccc1

InChI:

InChI=1/C19H17NO4S2/c1-15-10-12-16(13-11-15)20-26(23,24)19-9-5-8-18(14-19)25(21,22)17-6-3-2-4-7-17/h2-14,20H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.2643 kcal/mol

Physical Properties
Molecular Weight: 387.48 g/mol	logS: -5.48519	SlogP: 3.62862	Reactive groups: 0

Topological Properties
Globularity: 0.082601	Sterimol/B1: 2.64669	Sterimol/B2: 4.07978	Sterimol/B3: 4.24239
Sterimol/B4: 6.56263	Sterimol/L: 17.8805

Surface and Volume Properties
Accessible surface: 605.855	Positive charged surface: 293.429	Negative charged surface: 312.426	Volume: 339.25
Hydrophobic surface: 468.99	Hydrophilic surface: 136.865

Pharmacophoric Properties
Hydrogen bond donors: 1	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.