MMsINC Database Search


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MMsINC code: MMs01524963

Type: Neutral
Formula: C₁₇H₂₀N₂O₄S

SMILES:

S(=O)(=O)(N(C)C)c1cc(ccc1)C(=O)NCc1ccccc1OC

InChI:

InChI=1/C17H20N2O4S/c1-19(2)24(21,22)15-9-6-8-13(11-15)17(20)18-12-14-7-4-5-10-16(14)23-3/h4-11H,12H2,1-3H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.0567 kcal/mol

Physical Properties
Molecular Weight: 348.423 g/mol	logS: -3.26285	SlogP: 2.1419	Reactive groups: 0

Topological Properties
Globularity: 0.0776517	Sterimol/B1: 2.83013	Sterimol/B2: 3.14951	Sterimol/B3: 4.86891
Sterimol/B4: 6.1121	Sterimol/L: 17.4215

Surface and Volume Properties
Accessible surface: 606.326	Positive charged surface: 400.199	Negative charged surface: 206.127	Volume: 324.375
Hydrophobic surface: 504.291	Hydrophilic surface: 102.035

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.