MMsINC Database Search


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MMsINC code: MMs01761455

Type: Neutral
Formula: C₁₈H₁₈N₂O₄S₂

SMILES:

S(=O)(=O)(Nc1cc(N(S(=O)(=O)C)C)ccc1)c1cc2c(cc1)cccc2

InChI:

InChI=1/C18H18N2O4S2/c1-20(25(2,21)22)17-9-5-8-16(13-17)19-26(23,24)18-11-10-14-6-3-4-7-15(14)12-18/h3-13,19H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.8002 kcal/mol

Physical Properties
Molecular Weight: 390.484 g/mol	logS: -4.83816	SlogP: 3.0364	Reactive groups: 0

Topological Properties
Globularity: 0.193692	Sterimol/B1: 2.33879	Sterimol/B2: 3.96026	Sterimol/B3: 6.42898
Sterimol/B4: 7.34318	Sterimol/L: 14.3741

Surface and Volume Properties
Accessible surface: 590.358	Positive charged surface: 305.205	Negative charged surface: 277.368	Volume: 338.125
Hydrophobic surface: 446.805	Hydrophilic surface: 143.553

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.