MMsINC Database Search


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MMsINC code: MMs03178725

Type: Neutral
Formula: C₁₁H₁₆N₂O₄S

SMILES:

S(=O)(=O)(NC(C(=O)N)C)c1cc(C)c(OC)cc1

InChI:

InChI=1/C11H16N2O4S/c1-7-6-9(4-5-10(7)17-3)18(15,16)13-8(2)11(12)14/h4-6,8,13H,1-3H3,(H2,12,14)/t8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.9238 kcal/mol

Physical Properties
Molecular Weight: 272.325 g/mol	logS: -2.03948	SlogP: 0.15572	Reactive groups: 0

Topological Properties
Globularity: 0.17102	Sterimol/B1: 2.95855	Sterimol/B2: 3.09062	Sterimol/B3: 5.4831
Sterimol/B4: 6.13143	Sterimol/L: 12.8944

Surface and Volume Properties
Accessible surface: 482.009	Positive charged surface: 304.568	Negative charged surface: 177.441	Volume: 241.375
Hydrophobic surface: 285.062	Hydrophilic surface: 196.947

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.