MMsINC Database Search


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MMsINC code: MMs02521925

Type: Neutral
Formula: C₁₇H₂₀N₂O₄S

SMILES:

S(=O)(=O)(N(C)c1ccc(cc1)C(=O)Nc1cc(ccc1OC)C)C

InChI:

InChI=1/C17H20N2O4S/c1-12-5-10-16(23-3)15(11-12)18-17(20)13-6-8-14(9-7-13)19(2)24(4,21)22/h5-11H,1-4H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.3825 kcal/mol

Physical Properties
Molecular Weight: 348.423 g/mol	logS: -3.79273	SlogP: 2.65172	Reactive groups: 0

Topological Properties
Globularity: 0.0208994	Sterimol/B1: 2.0665	Sterimol/B2: 3.13273	Sterimol/B3: 3.65789
Sterimol/B4: 8.8677	Sterimol/L: 16.8251

Surface and Volume Properties
Accessible surface: 591.866	Positive charged surface: 369.928	Negative charged surface: 221.938	Volume: 321.25
Hydrophobic surface: 491.768	Hydrophilic surface: 100.098

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.