MMsINC Database Search


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MMsINC code: MMs01506192

Type: Neutral
Formula: C₁₉H₂₄N₂O₆S

SMILES:

S(=O)(=O)(N(C)C)c1ccc(NC(=O)Cc2cc(OC)c(OC)c(OC)c2)cc1

InChI:

InChI=1/C19H24N2O6S/c1-21(2)28(23,24)15-8-6-14(7-9-15)20-18(22)12-13-10-16(25-3)19(27-5)17(11-13)26-4/h6-11H,12H2,1-5H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.717 kcal/mol

Physical Properties
Molecular Weight: 408.475 g/mol	logS: -3.48104	SlogP: 2.14387	Reactive groups: 0

Topological Properties
Globularity: 0.0575924	Sterimol/B1: 3.6841	Sterimol/B2: 4.88547	Sterimol/B3: 5.35722
Sterimol/B4: 6.15508	Sterimol/L: 19.4355

Surface and Volume Properties
Accessible surface: 697.239	Positive charged surface: 540.254	Negative charged surface: 156.986	Volume: 373.5
Hydrophobic surface: 579.814	Hydrophilic surface: 117.425

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 6	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.