MMsINC Database Search


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MMsINC code: MMs00276476

Type: Neutral
Formula: C₁₇H₁₇NO₅S₂

SMILES:

S(=O)(=O)(N(C1C=CS(=O)(=O)C1)c1cc(OC)ccc1)c1ccccc1

InChI:

InChI=1/C17H17NO5S2/c1-23-16-7-5-6-14(12-16)18(15-10-11-24(19,20)13-15)25(21,22)17-8-3-2-4-9-17/h2-12,15H,13H2,1H3/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.6426 kcal/mol

Physical Properties
Molecular Weight: 379.457 g/mol	logS: -3.70526	SlogP: 2.2012	Reactive groups: 0

Topological Properties
Globularity: 0.183218	Sterimol/B1: 3.54125	Sterimol/B2: 4.18997	Sterimol/B3: 4.7392
Sterimol/B4: 8.68044	Sterimol/L: 14.7461

Surface and Volume Properties
Accessible surface: 563.08	Positive charged surface: 302.153	Negative charged surface: 260.927	Volume: 321.875
Hydrophobic surface: 421.135	Hydrophilic surface: 141.945

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.